Compound Information

General Information of the Compound

Compound ID

CP0037227

Compound Name

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

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Synonyms

(+-)-8-OH-DPAT

(+/-)-8-HYDROXY-2-DIPROPYL-AMINOTETRALIN

(+/-)-8-Hydroxy-DPAT hydrobromide

1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

78950-78-4

8-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN

8-Hydroxy-DPAT

8-OH-Dpat

8OH-DPAT

CHEBI:73364

CHEMBL56

GTPL7

Ro-31-8220 in solution

S(-)-8-HYDROXY-DPAT HYDROBROMIDE PARTIAL 5-HT1A SECROT

S(-)-8-Hydroxy-DPAT hydrobromide

S(-)-8-OH-DPAT HBr

[3H]-8-OH-DPAT

[3H]8-OH-DPAT

dl-8-Hydroxy-2-(dipropylamino)tetralin

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Structure

Formula

C16H25NO

Molecular Weight

247.382

Canonical SMILES

CCCN(CCC)C1CCc2cccc(O)c2C1

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InChI

InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3

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InChIKey

ASXGJMSKWNBENU-UHFFFAOYSA-N

CAS

78950-78-4

Physicochemical Property

logP	3.3715
Rotatable Bonds	5
Heavy Atom Count	18
Polar Areas	23.47
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Complexity	18

"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: 1220

SID: 14798544

ChEMBL ID

CHEMBL56

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)	11
1	EC50 = 2.6 nM Bioactivity Info	TI LI LO TS
2	EC50 = 10.9 nM Bioactivity Info	TI LI LO TS
3	EC50 = 12.02 nM Bioactivity Info	TI LI LO TS
4	EC50 = 15 nM Bioactivity Info	TI LI LO TS
5	EC50 = 26 nM Bioactivity Info	TI LI LO TS
6	EC50 = 51.29 nM Bioactivity Info	TI LI LO TS
7	Ki = 0.4 nM Bioactivity Info	TI LI LO TS
8	Ki = 0.71 nM Bioactivity Info	TI LI LO TS
9	Ki = 0.8 nM Bioactivity Info	TI LI LO TS
10	Ki = 1.2 nM Bioactivity Info	TI LI LO TS
11	Ki = 3 nM Bioactivity Info	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	8
1	EC50 = 3.3 nM Bioactivity Info	TI LI LO TS
2	EC50 = 6 nM Bioactivity Info	TI LI LO TS
3	IC50 = 0.53 nM Bioactivity Info	TI LI LO TS
4	IC50 = 6 nM Bioactivity Info	TI LI LO TS
5	Ki = 0.4 nM Bioactivity Info	TI LI LO TS
6	Ki = 0.75 nM Bioactivity Info	TI LI LO TS
7	Ki = 2.1 nM Bioactivity Info	TI LI LO TS
8	Ki = 5.1 nM Bioactivity Info	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	6
1	EC50 = 8 nM Bioactivity Info	TI LI LO TS
2	EC50 = 28.18 nM Bioactivity Info	TI LI LO TS
3	Ki = 0.927883 nM Bioactivity Info	TI LI LO TS
4	Ki = 3.388 nM Bioactivity Info	TI LI LO TS
5	Ki = 3.715 nM Bioactivity Info	TI LI LO TS
6	Ki = 3300 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	5
1	EC50 = 8.128 nM Bioactivity Info	TI LI LO TS
2	EC50 = 21.88 nM Bioactivity Info	TI LI LO TS
3	EC50 = 31.62 nM Bioactivity Info	TI LI LO TS
4	Ki = 0.8128 nM Bioactivity Info	TI LI LO TS
5	Ki = 2.65 nM Bioactivity Info	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 14.45 nM Bioactivity Info	TI LI LO TS
CL000049	C6 Cell Line Info	Rattus norvegicus (Rat)	1
1	EC50 = 32.36 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 0.28 nM
2	IC50 = 0.33 nM
3	IC50 = 0.51 nM
4	IC50 = 0.59 nM
5	IC50 = 0.66 nM
6	IC50 = 1.1 nM
7	Ki = 0.17 nM
8	Ki = 0.18 nM
9	Ki = 0.21 nM
10	Ki = 0.66 nM
11	Ki = 0.7943 nM
12	Ki = 0.8 nM
13	Ki = 0.83 nM
14	Ki = 1 nM
15	Ki = 1.2 nM
16	Ki = 1.259 nM
17	Ki = 1.49 nM
18	Ki = 1.9 nM
19	Ki = 3.388 nM
20	Ki = 3.44 nM
21	Ki = 3.467 nM
22	Ki = 3.8 nM
23	Ki = 5 nM
24	Ki = 3981.07 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 = 0.5 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 0.5 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 1.1 nM
2	IC50 = 2.1 nM
3	IC50 = 3 nM
4	IC50 = 8.06 nM
5	Kd = 2.5 nM
6	Ki = 0.47 nM
7	Ki = 0.5 nM
8	Ki = 1 nM
9	Ki = 1.2 nM
10	Ki = 1.44 nM
11	Ki = 1.59 nM
12	Ki = 2.1 nM
13	Ki = 4.3 nM
14	Ki = 8.7 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)	1
1	EC50 = 260 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 638 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 559 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)	1
1	Ki = 164 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 115 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)	1
1	Ki = 388 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 466 nM

Protein ID: PT01089, Alpha-1A adrenergic receptor

Protein Info

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	3
1	Ki = 151.36 nM Bioactivity Info	TI LI LO TS
2	Ki > 1000 nM Bioactivity Info	TI LI LO TS
3	Ki < 1000000 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 1757 nM
2	Ki = 1757.2 nM
3	Ki < 1000 nM

Protein ID: PT01007, Alpha-1B adrenergic receptor

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	Ki > 1000 nM Bioactivity Info	TI LI LO TS
2	Ki < 1000000 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki = 5975 nM
2	Ki < 1000 nM

Protein ID: PT01004, Alpha-1D adrenergic receptor

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	Ki > 1000 nM Bioactivity Info	TI LI LO TS
2	Ki < 1000000 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	Ki < 1000 nM
2	Ki > 1000 nM

Protein ID: PT00957, D(2) dopamine receptor

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	IC50 = 5.2 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 1126 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 = 5.2 nM
2	Ki = 86 nM
3	Ki = 549.54 nM
4	Ki = 1357 nM
5	Ki = 3500 nM

Protein ID: PT01005, D(2) dopamine receptor

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 = 86 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

1	IC50 > 1000 nM
2	Ki = 84 nM

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 = 248 nM Bioactivity Info	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 333 nM Bioactivity Info	TI LI LO TS

Protein ID: PT00943, D(3) dopamine receptor

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 = 259 nM Bioactivity Info	TI LI LO TS

Protein ID: PT01161, D(4) dopamine receptor

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 > 1515 nM Bioactivity Info	TI LI LO TS

Clinical Information about the Compound

Drug 1 ( [3H]8-OH-DPAT )

Drug Name	[3H]8-OH-DPAT
Target(s)	5-HT 1B receptor (HTR1B) Target Info Agonist 5-HT 1D receptor (HTR1D) Target Info Agonist 5-HT 1A receptor (HTR1A) Target Info Agonist

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han