DOPAMINE

Search structure
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01CA04
UNII: VTD58H1Z2X

Structure
InChI Key VYFYYTLLBUKUHU-UHFFFAOYSA-N
Smile NCCc1ccc(O)c(O)c1
InChI
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NO2
Molecular Weight 153.18
AlogP 0.6
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Primary Target
D1 receptor
D2 receptor
D3 receptor
D4 receptor
D5 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
3500 - - - -
Enzyme Oxidoreductase
- - - - 10
Enzyme
3500 - - - 10
Epigenetic regulator Eraser Lysine demethylase Jumonji domain-containing
- 3000 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 3045 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine-derivative receptor (family A GPCR) Melatonin receptor
- - - 7100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 90000 64560 10000 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
1-470 1200-5340 6200-49000 2-15000 104-151
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 977 -
Other cytosolic protein
3500 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 200 - 6400 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 12
Unclassified protein
- 530-7100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials
Hernias, Diaphragmatic, Congenital 3 D065630 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Shock 3 D012769 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Premature Birth 2 D047928 ClinicalTrials
Diabetes Mellitus 1 D003920 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 51-61-6
ChEBI 18243
ChEMBL CHEMBL59
DrugBank DB00988
DrugCentral 947
EPA CompTox DTXSID6022420
FDA SRS VTD58H1Z2X
Human Metabolome Database HMDB0000073
Guide to Pharmacology 940
KEGG C03758
PDB LDP
PharmGKB PA449396
PubChem 681
SureChEMBL SCHEMBL8505
ZINC ZINC000000033882
CONTENTS