Compound Information

General Information of the Compound

Compound ID

CP0001238

Compound Name

14C-5-hydroxy tryptamine creatinine disulfate

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Synonyms

1H-Indol-5-ol, 3-(2-aminoethyl)-

3-(2-Amino-ethyl)-1H-indol-5-ol

3-(2-Aminoethyl)-1H-indol-5-ol

3-(2-Aminoethyl)indol-5-ol

3-(beta-Aminoethyl)-5-hydroxyindole

333DO1RDJY

5-HT

5-HYDROXYTRYPTAMINE

5-Hta

5-Hydroxy-3-(beta-aminoethyl)indole

50-67-9

Antemoqua

Antemovis

BRN 0143524

CHEBI:28790

Ds substance

EINECS 200-058-9

Enteramin

Enteramine

Hippophain

Indol-5-ol, 3-(2-aminoethyl)-

SEROTONIN

Serotonine

Substance DS

Substanz DS

Thrombocytin

Thrombotonin

Tryptamine, 5-hydroxy-

UNII-333DO1RDJY

serotonin

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Structure

Formula

C10H12N2O

Molecular Weight

176.219

Canonical SMILES

NCCc1c[nH]c2ccc(O)cc12

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InChI

InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

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InChIKey

QZAYGJVTTNCVMB-UHFFFAOYSA-N

CAS

50-67-9

Physicochemical Property

logP	1.3747
Rotatable Bonds	2
Heavy Atom Count	13
Polar Areas	62.04
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Complexity	13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID

CID: 5202

SID: 15120541

ChEMBL ID

CHEMBL39

DrugBank ID

DB08839

Map of Molecular Bioactivity Related to the Compound

Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity

Table of Molecular Bioactivities Related to the Compound

Protein ID: PT00819, 5-hydroxytryptamine receptor 1A

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	7
1	EC50 = 3.7 nM Bioactivity Info	TI LI LO TS
2	EC50 = 27.54 nM Bioactivity Info	TI LI LO TS
3	EC50 = 147 nM Bioactivity Info	TI LI LO TS
4	EC50 = 150 nM Bioactivity Info	TI LI LO TS
5	EC50 = 169.82 nM Bioactivity Info	TI LI LO TS
6	Ki = 3 nM Bioactivity Info	TI LI LO TS
7	Ki = 4.5 nM Bioactivity Info	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	8
1	EC50 = 3.75 nM Bioactivity Info	TI LI LO TS
2	EC50 = 8.71 nM Bioactivity Info	TI LI LO TS
3	EC50 = 19 nM Bioactivity Info	TI LI LO TS
4	Ki = 0.62 nM Bioactivity Info	TI LI LO TS
5	Ki = 0.9 nM Bioactivity Info	TI LI LO TS
6	Ki = 1.2 nM Bioactivity Info	TI LI LO TS
7	Ki = 3.981 nM Bioactivity Info	TI LI LO TS
8	Ki < 50 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	20
1	EC50 = 5.7 nM Bioactivity Info	TI LI LO TS
2	EC50 = 15.33 nM Bioactivity Info	TI LI LO TS
3	EC50 = 18 nM Bioactivity Info	TI LI LO TS
4	EC50 = 30.9 nM Bioactivity Info	TI LI LO TS
5	EC50 = 33.11 nM Bioactivity Info	TI LI LO TS
6	EC50 = 39 nM Bioactivity Info	TI LI LO TS
7	EC50 = 45.3 nM Bioactivity Info	TI LI LO TS
8	EC50 = 50.12 nM Bioactivity Info	TI LI LO TS
9	EC50 = 58.88 nM Bioactivity Info	TI LI LO TS
10	EC50 = 69.18 nM Bioactivity Info	TI LI LO TS
11	EC50 = 97.7 nM Bioactivity Info	TI LI LO TS
12	EC50 = 1800 nM Bioactivity Info	TI LI LO TS
13	Ki = 0.91 nM Bioactivity Info	TI LI LO TS
14	Ki = 1.1 nM Bioactivity Info	TI LI LO TS
15	Ki = 1.3 nM Bioactivity Info	TI LI LO TS
16	Ki = 1.4 nM Bioactivity Info	TI LI LO TS
17	Ki = 2.08 nM Bioactivity Info	TI LI LO TS
18	Ki = 2.48 nM Bioactivity Info	TI LI LO TS
19	Ki = 3.6 nM Bioactivity Info	TI LI LO TS
20	Ki = 5.5 nM Bioactivity Info	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 128.82 nM Bioactivity Info	TI LI LO TS
CL000049	C6 Cell Line Info	Rattus norvegicus (Rat)	1
1	EC50 = 229.09 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 1.2 nM
2	IC50 = 5.2 nM
3	Ki = 1.259 nM
4	Ki = 2.48 nM
5	Ki = 2.5 nM
6	Ki = 10000 nM

Protein ID: PT01448, 5-hydroxytryptamine receptor 1A

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 3 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 2.6 nM
2	IC50 = 5.2 nM
3	Ki = 1.585 nM
4	Ki = 1.7 nM

Protein ID: PT01202, 5-hydroxytryptamine receptor 1B

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	EC50 = 4.67 nM Bioactivity Info	TI LI LO TS
2	Ki = 5.012 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	3
1	EC50 = 4.82 nM Bioactivity Info	TI LI LO TS
2	Ki = 1.1 nM Bioactivity Info	TI LI LO TS
3	Ki = 6.76 nM Bioactivity Info	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	1
1	Ki = 4.8 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 5 nM
2	IC50 = 6.5 nM
3	IC50 = 12 nM
4	IC50 = 16 nM
5	IC50 = 29 nM
6	Ki = 4 nM
7	Ki = 6.76 nM
8	Ki = 7.1 nM
9	Ki = 14 nM
10	Ki = 18 nM

Protein ID: PT00827, 5-hydroxytryptamine receptor 1D

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	Ki = 0.5 nM Bioactivity Info	TI LI LO TS
2	Ki = 5.06 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 3 nM
2	Ki = 1.7 nM
3	Ki = 2 nM
4	Ki = 4.8 nM
5	Ki = 5.06 nM

Protein ID: PT00825, 5-hydroxytryptamine receptor 2A

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	12
1	EC50 = 1.6 nM Bioactivity Info	TI LI LO TS
2	EC50 = 1.88 nM Bioactivity Info	TI LI LO TS
3	EC50 = 5.8 nM Bioactivity Info	TI LI LO TS
4	EC50 = 7.6 nM Bioactivity Info	TI LI LO TS
5	EC50 = 125.89 nM Bioactivity Info	TI LI LO TS
6	EC50 = 302 nM Bioactivity Info	TI LI LO TS
7	Ki = 11.5 nM Bioactivity Info	TI LI LO TS
8	Ki = 17.2 nM Bioactivity Info	TI LI LO TS
9	Ki = 130 nM Bioactivity Info	TI LI LO TS
10	Ki = 150 nM Bioactivity Info	TI LI LO TS
11	Ki = 398.11 nM Bioactivity Info	TI LI LO TS
12	Ki = 690 nM Bioactivity Info	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	3
1	EC50 = 11 nM Bioactivity Info	TI LI LO TS
2	EC50 = 70 nM Bioactivity Info	TI LI LO TS
3	Ki = 8.2 nM Bioactivity Info	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 12.1 nM Bioactivity Info	TI LI LO TS
2	EC50 = 130 nM Bioactivity Info	TI LI LO TS
3	EC50 = 661 nM Bioactivity Info	TI LI LO TS
4	EC50 = 1672 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	EC50 = 16 nM Bioactivity Info	TI LI LO TS
2	EC50 = 47 nM Bioactivity Info	TI LI LO TS
CL000035	NIH 3T3 Cell Line Info	Mus musculus (Mouse)	1
1	EC50 = 18.62 nM Bioactivity Info	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 27.9 nM Bioactivity Info	TI LI LO TS
CL000068	A-549 Cell Line Info	Homo sapiens (Human)	2
1	Ki = 120 nM Bioactivity Info	TI LI LO TS
2	Ki = 160 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 8.2 nM
2	Ki = 14 nM

Protein ID: PT01019, 5-hydroxytryptamine receptor 2B

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	5
1	EC50 = 0.5 nM Bioactivity Info	TI LI LO TS
2	EC50 = 0.86 nM Bioactivity Info	TI LI LO TS
3	EC50 = 0.92 nM Bioactivity Info	TI LI LO TS
4	EC50 = 25.12 nM Bioactivity Info	TI LI LO TS
5	Ki = 10.8 nM Bioactivity Info	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	3
1	EC50 = 1.5 nM Bioactivity Info	TI LI LO TS
2	EC50 = 4.5 nM Bioactivity Info	TI LI LO TS
3	Ki = 13 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 4.5 nM Bioactivity Info	TI LI LO TS
CL000065	HEK293-EBNA Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 5.8 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 12 nM
2	Ki = 13 nM
3	Ki = 13.49 nM

Protein ID: PT00939, 5-hydroxytryptamine receptor 2C

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	7
1	EC50 = 0.09 nM Bioactivity Info	TI LI LO TS
2	EC50 = 0.21 nM Bioactivity Info	TI LI LO TS
3	EC50 = 0.41 nM Bioactivity Info	TI LI LO TS
4	EC50 = 25.12 nM Bioactivity Info	TI LI LO TS
5	EC50 = 190.55 nM Bioactivity Info	TI LI LO TS
6	Ki = 20 nM Bioactivity Info	TI LI LO TS
7	Ki = 50.12 nM Bioactivity Info	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	7
1	EC50 = 1.63 nM Bioactivity Info	TI LI LO TS
2	EC50 = 1.7 nM Bioactivity Info	TI LI LO TS
3	EC50 = 24 nM Bioactivity Info	TI LI LO TS
4	EC50 = 25 nM Bioactivity Info	TI LI LO TS
5	Ki = 8.3 nM Bioactivity Info	TI LI LO TS
6	Ki = 214 nM Bioactivity Info	TI LI LO TS
7	Ki = 445 nM Bioactivity Info	TI LI LO TS
CL000035	NIH 3T3 Cell Line Info	Mus musculus (Mouse)	1
1	EC50 = 51.29 nM Bioactivity Info	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1.25 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 81 nM
2	Ki = 6.9 nM
3	Ki = 8.3 nM
4	Ki = 35 nM

Protein ID: PT01480, 5-hydroxytryptamine receptor 2C

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000035	NIH 3T3 Cell Line Info	Mus musculus (Mouse)	1
1	EC50 = 2.8 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 42 nM
2	IC50 = 81 nM
3	Ki = 31.62 nM

Protein ID: PT01307, 5-hydroxytryptamine receptor 4

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000049	C6 Cell Line Info	Rattus norvegicus (Rat)	2
1	EC50 = 12 nM Bioactivity Info	TI LI LO TS
2	Ki = 1049 nM Bioactivity Info	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 500 nM Bioactivity Info	TI LI LO TS

Protein ID: PT01513, 5-hydroxytryptamine receptor 5A

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 180 nM Bioactivity Info	TI LI LO TS
2	IC50 = 260 nM Bioactivity Info	TI LI LO TS
3	Ki = 130 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 79 nM
2	IC50 = 160 nM
3	IC50 = 180 nM
4	IC50 = 184 nM
5	IC50 = 280 nM
6	Ki = 82 nM
7	Ki = 110 nM
8	Ki = 126 nM
9	Ki = 170 nM
10	Ki = 250 nM

Protein ID: PT01354, 5-hydroxytryptamine receptor 6

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 43.6 nM Bioactivity Info	TI LI LO TS
2	Ki = 33 nM Bioactivity Info	TI LI LO TS
3	Ki = 75 nM Bioactivity Info	TI LI LO TS
4	Ki = 78 nM Bioactivity Info	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	4
1	IC50 = 120 nM Bioactivity Info	TI LI LO TS
2	IC50 = 130 nM Bioactivity Info	TI LI LO TS
3	Ki = 33 nM Bioactivity Info	TI LI LO TS
4	Ki = 61 nM Bioactivity Info	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	1
1	Ki = 125.89 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 27.5 nM
2	IC50 = 100 nM
3	IC50 = 180 nM
4	IC50 = 200 nM
5	IC50 = 262 nM
6	Ki = 50 nM
7	Ki = 65 nM
8	Ki = 70 nM
9	Ki = 84 nM
10	Ki = 93 nM
11	Ki = 100 nM

Protein ID: PT00941, 5-hydroxytryptamine receptor 7

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	5
1	EC50 = 7 nM Bioactivity Info	TI LI LO TS
2	EC50 = 15 nM Bioactivity Info	TI LI LO TS
3	EC50 = 70 nM Bioactivity Info	TI LI LO TS
4	Kd = 3.98 nM Bioactivity Info	TI LI LO TS
5	Ki = 2.12 nM Bioactivity Info	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 17 nM Bioactivity Info	TI LI LO TS
2	Ki = 1.4 nM Bioactivity Info	TI LI LO TS
3	Ki = 2.1 nM Bioactivity Info	TI LI LO TS
4	Ki = 6 nM Bioactivity Info	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	4
1	IC50 = 0.25 nM Bioactivity Info	TI LI LO TS
2	IC50 = 0.47 nM Bioactivity Info	TI LI LO TS
3	Ki = 0.17 nM Bioactivity Info	TI LI LO TS
4	Ki = 0.8 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 0.29 nM
2	IC50 = 0.49 nM
3	IC50 = 0.61 nM
4	IC50 = 1.5 nM
5	Ki = 0.11 nM
6	Ki = 0.13 nM
7	Ki = 0.22 nM
8	Ki = 3.162 nM
9	Ki = 4 nM
10	Ki = 8.1 nM

Protein ID: PT01746, 5-hydroxytryptamine receptor 7

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 7.33 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 0.6026 nM
2	Ki = 10 nM

Protein ID: PT01195, D(1A) dopamine receptor

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	Kd = 9690 nM Bioactivity Info	TI LI LO TS

Protein ID: PT01366, D(3) dopamine receptor

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	Ki = 2338 nM Bioactivity Info	TI LI LO TS

Protein ID: PT01843, Melatonin receptor type 1A

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki > 100000 nM Bioactivity Info	TI LI LO TS

Protein ID: PT02174, Melatonin receptor type 1B

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki > 100000 nM Bioactivity Info	TI LI LO TS

Protein ID: PT04368, Solute carrier family 22 member 2

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	1
1	Km = 3600000 nM Bioactivity Info	TI LI LO TS

Protein ID: PT01929, Synaptic vesicular amine transporter

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 1430 nM Bioactivity Info	TI LI LO TS
2	Ki = 2290 nM Bioactivity Info	TI LI LO TS
3	Ki = 7690 nM Bioactivity Info	TI LI LO TS

Protein ID: PT04763, Trace amine-associated receptor 1

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 35100 nM Bioactivity Info	TI LI LO TS

Clinical Information about the Compound

Drug 1 ( SEROTONIN )

Drug Name	SEROTONIN
Target(s)	5-HT 3A receptor (HTR3A) Target Info Inhibitor Adenosine A3 receptor (ADORA3) Target Info Inhibitor 5-HT 2B receptor (HTR2B) Target Info Inhibitor 5-HT 2C receptor (HTR2C) Target Info Inhibitor 5-HT 4 receptor (HTR4) Target Info Inhibitor 5-HT 1D receptor (HTR1D) Target Info Inhibitor 5-HT 5A receptor (HTR5A) Target Info Inhibitor 5-HT 7 receptor (HTR7) Target Info Inhibitor 5-HT 1B receptor (HTR1B) Target Info Inhibitor 5-HT 2A receptor (HTR2A) Target Info Inhibitor 5-HT 1A receptor (HTR1A) Target Info Inhibitor 5-HT 6 receptor (HTR6) Target Info Inhibitor

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han