General Information of the Compound
Compound ID
CP0036921
Compound Name
3-HYDROXYTYRAMINE HYDROCHLORIDE
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Synonyms
(3H)-Dopamine
1,2-Benzenediol, 4-(2-aminoethyl)-(9CI)
1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride
1,2-Benzenediol, 4-(2-aminoethyl)-, labeled with tritium
153C5321-5FEE-4B0B-8925-F388F0EEEBD1
2-(3,4-dihydroxyphenyl)ethylamine
2-benzenediol
3,4-Dihydroxyphenethylamine hydrochloride
3,4-Dihydroxyphenylethylamine
3,4-dihydroxyphenethylamine
3-Hydroxtyramine
3-Hydroxytyramine
3-Hydroxytyramine Hydrobromide
3-Hydroxytyramine hydrochloride
4-(2-Aminoethyl)-1
4-(2-Aminoethyl)-1,2-benzenediol
4-(2-Aminoethyl)-1,2-bezenediol
4-(2-Aminoethyl)benzene-1,2-diol
4-(2-Aminoethyl)catechol
4-(2-Aminoethyl)pyrocatechol
4-(2-Aminoethyl)pyrocatechol hydrochloride
4-(2-aminoethyl)-pyrocatechol
A-(3,4-Dihydroxyphenyl)-b-aminoethane
ASL 279
Alpha-(3,4-Dihydroxyphenyl)-beta-aminoethane
Beta-(3,4-Dihydroxyphenyl)ethylamine hydrochloride
Dopamin
Dopamina
Dopamina [INN-Spanish]
Dopamine
Dopamine (INN)
Dopamine (USAN)(*hydrochloride*)
Dopamine [INN:BAN]
Dopaminum
Dopaminum [INN-Latin]
Dophamine
Hydroxytyramin
Hydroxytyramine
IP 498
Intropin
Intropin [*hydrochloride*]
KW-3-060
L-DOPAMINE
LDP
M-Hydroxytyramine hydrochloride
Medopa (TN)
Oxytyramine
Pyrocatechol, 4-(2-aminoethyl)-(8CI)
Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride
Revimine
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Structure
Formula
C8H11NO2
Molecular Weight
153.181
Canonical SMILES
NCCc1ccc(O)c(O)c1
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InChI
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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InChIKey
VYFYYTLLBUKUHU-UHFFFAOYSA-N
CAS
50444-17-2
51-61-6
Physicochemical Property
logP
0.599
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
66.48
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
11

"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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Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 681
SID: 15170929
ChEMBL ID
CHEMBL59
DrugBank ID
DB00988
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: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 61000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 64560 nM
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 35 nM
   TI
   LI
   LO
   TS
2
EC50 = 39 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 44 nM
   TI
   LI
   LO
   TS
2
EC50 = 120 nM
   TI
   LI
   LO
   TS
3
EC50 = 1400 nM
   TI
   LI
   LO
   TS
4
Ki = 130 nM
   TI
   LI
   LO
   TS
5
Ki = 12000 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  2
1
EC50 = 100 nM
   TI
   LI
   LO
   TS
2
Ki = 243 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 232 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Kd = 2500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 192 nM
2 Ki = 18200 nM
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  17
1
EC50 = 0.67 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.78 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.8 nM
   TI
   LI
   LO
   TS
4
EC50 = 2.8 nM
   TI
   LI
   LO
   TS
5
EC50 = 3.9 nM
   TI
   LI
   LO
   TS
6
EC50 = 4.5 nM
   TI
   LI
   LO
   TS
7
EC50 = 18 nM
   TI
   LI
   LO
   TS
8
EC50 = 19 nM
   TI
   LI
   LO
   TS
9
EC50 = 156 nM
   TI
   LI
   LO
   TS
10
EC50 = 163 nM
   TI
   LI
   LO
   TS
11
EC50 = 226 nM
   TI
   LI
   LO
   TS
12
Ki = 2.9 nM
   TI
   LI
   LO
   TS
13
Ki = 8.73 nM
   TI
   LI
   LO
   TS
14
Ki = 16 nM
   TI
   LI
   LO
   TS
15
Ki = 260 nM
   TI
   LI
   LO
   TS
16
Ki = 2100 nM
   TI
   LI
   LO
   TS
17
Ki = 3690 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  5
1
EC50 = 0.69 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.99 nM
   TI
   LI
   LO
   TS
3
EC50 = 6.7 nM
   TI
   LI
   LO
   TS
4
EC50 = 40 nM
   TI
   LI
   LO
   TS
5
EC50 = 140 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 3.981 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  4
1
EC50 = 5 nM
   TI
   LI
   LO
   TS
2
EC50 = 160 nM
   TI
   LI
   LO
   TS
3
EC50 = 200 nM
   TI
   LI
   LO
   TS
4
EC50 = 390 nM
   TI
   LI
   LO
   TS
CL000153 CHOP Cricetulus griseus (Chinese hamster)  3
1
EC50 = 7.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 65 nM
   TI
   LI
   LO
   TS
3
Ki = 422 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  12
1
EC50 = 36 nM
   TI
   LI
   LO
   TS
2
EC50 = 43 nM
   TI
   LI
   LO
   TS
3
EC50 = 183 nM
   TI
   LI
   LO
   TS
4
EC50 = 209 nM
   TI
   LI
   LO
   TS
5
EC50 = 218 nM
   TI
   LI
   LO
   TS
6
EC50 = 227 nM
   TI
   LI
   LO
   TS
7
EC50 = 240 nM
   TI
   LI
   LO
   TS
8
EC50 = 376 nM
   TI
   LI
   LO
   TS
9
Ki = 8 nM
   TI
   LI
   LO
   TS
10
Ki = 48 nM
   TI
   LI
   LO
   TS
11
Ki = 360 nM
   TI
   LI
   LO
   TS
12
Ki = 450 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  3
1
EC50 = 170 nM
   TI
   LI
   LO
   TS
2
Ki = 1.89 nM
   TI
   LI
   LO
   TS
3
Ki = 759 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.89 nM
2 Ki = 17 nM
3 Ki = 20 nM
4 Ki = 34 nM
5 Ki = 42 nM
6 Ki = 572 nM
7 Ki = 1100 nM
8 Ki = 1900 nM
9 Ki = 7940 nM
10 Ki = 15000 nM
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 1.1 nM
   TI
   LI
   LO
   TS
2
EC50 = 5 nM
   TI
   LI
   LO
   TS
3
Ki = 990 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1425 nM
   TI
   LI
   LO
   TS
2
Ki = 197 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  3
1
IC50 = 3140 nM
   TI
   LI
   LO
   TS
2
IC50 = 3260 nM
   TI
   LI
   LO
   TS
3
Kd = 17000 nM
   TI
   LI
   LO
   TS
CL000049 C6 Rattus norvegicus (Rat)  2
1
Kd = 6200 nM
   TI
   LI
   LO
   TS
2
Kd = 49000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1200 nM
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  3
1
EC50 = 0.11 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.8913 nM
   TI
   LI
   LO
   TS
3
EC50 = 1.8 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  14
1
EC50 = 1.1 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.1 nM
   TI
   LI
   LO
   TS
3
EC50 = 2.3 nM
   TI
   LI
   LO
   TS
4
EC50 = 3.5 nM
   TI
   LI
   LO
   TS
5
EC50 = 33 nM
   TI
   LI
   LO
   TS
6
EC50 = 55 nM
   TI
   LI
   LO
   TS
7
EC50 = 820 nM
   TI
   LI
   LO
   TS
8
Ki = 2.97 nM
   TI
   LI
   LO
   TS
9
Ki = 7.58 nM
   TI
   LI
   LO
   TS
10
Ki = 15 nM
   TI
   LI
   LO
   TS
11
Ki = 72 nM
   TI
   LI
   LO
   TS
12
Ki = 293 nM
   TI
   LI
   LO
   TS
13
Ki = 1100 nM
   TI
   LI
   LO
   TS
14
Ki > 80000 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  3
1
EC50 = 1.8 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.9 nM
   TI
   LI
   LO
   TS
3
EC50 = 6.4 nM
   TI
   LI
   LO
   TS
CL000153 CHOP Cricetulus griseus (Chinese hamster)  3
1
EC50 = 2.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 6.1 nM
   TI
   LI
   LO
   TS
3
Ki = 20 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  8
1
EC50 = 4.76 nM
   TI
   LI
   LO
   TS
2
EC50 = 5.34 nM
   TI
   LI
   LO
   TS
3
EC50 = 5.8 nM
   TI
   LI
   LO
   TS
4
EC50 = 7.26 nM
   TI
   LI
   LO
   TS
5
EC50 = 7.64 nM
   TI
   LI
   LO
   TS
6
EC50 = 8.57 nM
   TI
   LI
   LO
   TS
7
EC50 = 10.6 nM
   TI
   LI
   LO
   TS
8
Ki = 240 nM
   TI
   LI
   LO
   TS
CL000367 AtT-20 Mus musculus (Mouse)  1
1
EC50 = 8.53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 13.2 nM
2 Ki = 50 nM
3 Ki = 52 nM
4 Ki = 290 nM
5 Ki = 1600 nM
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
IC50 = 111 nM
   TI
   LI
   LO
   TS
2
IC50 = 124 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 49.3 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 101 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 1.8 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.2 nM
   TI
   LI
   LO
   TS
3
EC50 = 10 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  5
1
EC50 = 12.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 14.79 nM
   TI
   LI
   LO
   TS
3
EC50 = 20.89 nM
   TI
   LI
   LO
   TS
4
EC50 = 91.2 nM
   TI
   LI
   LO
   TS
5
EC50 = 269.15 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.2 nM
2 Ki = 57 nM
3 Ki = 62 nM
4 Ki = 97 nM
Protein ID: PT02684, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 7100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 9100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 460 nM
   TI
   LI
   LO
   TS
2
Ki = 6400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 6.63 nM
   TI
   LI
   LO
   TS
2
Ki > 28000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04368, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Km = 2100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 650000 nM
Protein ID: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1710 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dopamine )
Drug Name Dopamine
Company Baxter Healthcare Corp Anesthesia And Critical Care
Indication
Parkinson disease
Approved
Hypotension
Phase 1
Target(s)
Dopamine D2 receptor (D2R)
Agonist