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Compound Detail

CHEMBL1557

DOPAMINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.NCCc1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1557
Name DOPAMINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key CTENFNNZBMHDDG-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL59
Active Moiety CHEMBL59

Known Names

ASL-279 Cardiosteril Dopamin-natterman Dopamine hcl Dopamine hydrochloride Dopamini hydrochloridum Dopmin Dynatra Inotropin Intropin Neoatricon NSC-169105 +3 more
11
Targets
28
Activities
3
Assay Types
0
PK Parameters
20
Publications
15
Known Names
5
Indications
1
Mechanisms

Molecular Properties

153.2
MW (Da)
0.60
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1974
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral
USAN Stem -pamine
USAN Year 1969

Extended Properties

Molecular Formula C8H12ClNO2
MW 189.64
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 1.15

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Beta-1 adrenergic receptor agonist AGONIST Beta-1 adrenergic receptor ✓ ✓

Indications

Heart Failure Hypotension Myocardial Infarction Renal Insufficiency Parkinson Disease

Activity Summary

Ki 17 meas. best 8.7
IC50 6 meas. best 6.0
EC50 5 meas. best 9.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 EC50 9.2 9.2 0.6 1
D(2) dopamine receptor
CHEMBL217
 Ki 8.7 6.6122 2.0 9
D(2) dopamine receptor
CHEMBL339
 Ki 8.35 8.34 4.5 2
D(4) dopamine receptor
CHEMBL219
 Ki 8.15 7.81 7.1 2
D(3) dopamine receptor
CHEMBL234
 Ki 7.9 7.755 12.6 2
D(1A) dopamine receptor
CHEMBL2056
 EC50 7.43 7.43 37.0 1
D(2) dopamine receptor
CHEMBL217
 IC50 6.0 5.0 1000.0 2
D(1B) dopamine receptor
CHEMBL1850
 Ki 5.99 5.965 1023.3 2
Alpha-2A adrenergic receptor
CHEMBL1867
 EC50 5.94 5.94 1144.7 1
Aspartyl aminopeptidase
CHEMBL1293263
 IC50 5.7 5.7 1979.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.9333 10000.0 3
Sodium-dependent noradrenaline transporter
CHEMBL222
 EC50 4.7 4.7 20000.0 1
Sodium-dependent dopamine transporter
CHEMBL238
 EC50 4.34 4.34 46000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor EC50 = 0.631 nM 9.2 Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assess... 24325578
D(2) dopamine receptor Ki = 2.0 nM 8.7 Displacement of [3H]-raclopride from high-affinity state of human dopamine D2L r... 24325578
D(2) dopamine receptor Ki = 4.5 nM 8.35 Displacement of [3H]-spiperone from rat dopamine D2S receptor expressed in rat C... 24325578
D(2) dopamine receptor Ki = 4.7 nM 8.33 Displacement of [3H]-spiperone from recombinant high-affinity state of rat dopam... 24325578
D(4) dopamine receptor Ki = 7.079 nM 8.15 Displacement of [3H]spiperone from human dopamine D4 receptor transfected in HEK... 24325578
D(3) dopamine receptor Ki = 12.59 nM 7.9 Displacement of [3H]spiperone from human dopamine D3 receptor transfected in HEK... 24325578
D(2) dopamine receptor Ki = 22.0 nM 7.66 Displacement of [3H]-iodosulpiride from cloned human dopamine D2S receptor expre... 24325578
D(3) dopamine receptor Ki = 24.8 nM 7.61 Displacement of [3H]spiperone from human dopamine D3 receptor transfected in HEK... 24325578
D(4) dopamine receptor Ki = 33.8 nM 7.47 Displacement of [3H]spiperone from human dopamine D4 receptor transfected in HEK... 24325578
D(1A) dopamine receptor EC50 = 37.0 nM 7.43 Agonist activity at human dopamine D1 receptor expressed in HEK293 cells assesse... 21862338
D(2) dopamine receptor Ki = 56.0 nM 7.25 Displacement of [3H]-iodosulpiride from recombinant high-affinity state of human... 24325578
D(2) dopamine receptor Ki = 107.15 nM 6.97 Displacement of [3H]spiperone from high-affinity state of human dopamine D2L rec... 24325578
D(2) dopamine receptor Ki = 231.0 nM 6.64 Displacement of [3H]spiperone from high-affinity state of human dopamine D2L rec... 24325578
D(2) dopamine receptor Ki = 870.96 nM 6.06 Displacement of [3H]spiperone from low-affinity state of human dopamine D2S rece... 24325578
D(2) dopamine receptor Ki = 920.0 nM 6.04 Displacement of [3H]spiperone from low-affinity state of human dopamine D2S rece... 24325578
D(2) dopamine receptor IC50 = 1000.0 nM 6.0 Displacement of [3H]spiperone from high-affinity state of human dopamine D2L rec... 24325578
D(1B) dopamine receptor Ki = 1023.29 nM 5.99 Displacement of [3H]SCH23390 from human dopamine D5 receptor transfected in HEK2... 24325578
D(1B) dopamine receptor Ki = 1160.0 nM 5.94 Displacement of [3H]SCH23390 from human dopamine D5 receptor transfected in HEK2... 24325578
Alpha-2A adrenergic receptor EC50 = 1144.73 nM 5.94 GPCR PRESTO-Tango dose-response in agonist mode with target: ADRA2A -
Aspartyl aminopeptidase IC50 = 1979.0 nM 5.7 PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5724801 U2OS 304
24325578 10.1021/jm401384w D(2) dopamine receptor 14
- 10.6019/CHEMBL5058564 Fibroblast 5
- 10.6019/CHEMBL5058564 U2OS 5
19734910 10.1038/nchembio.215 Plasmodium falciparum 3
- 10.6019/CHEMBL5058564 HEK-293T 3
40027 10.1021/jm00194a004 Canis familiaris 3
24325578 10.1021/jm401384w D(1B) dopamine receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
24325578 10.1021/jm401384w D(3) dopamine receptor 2
24325578 10.1021/jm401384w D(4) dopamine receptor 2
- 10.1021/np50013a017 Phaseolus vulgaris 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2

Data from ChEMBL 36 via Core Engine