DOPAMINE

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Synonyms
Status
Molecule Category Free-form
ATC C01CA04
UNII VTD58H1Z2X
EPA CompTox DTXSID6022420

Structure

InChI Key VYFYYTLLBUKUHU-UHFFFAOYSA-N
Smiles 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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 10
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 58 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
0.11-820 8e-06-800 - 1.2-990 16-151
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 977.24 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 6.63-460 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 11.8
Unclassified protein
- 530 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 14.9-617 -
Canis lupus familiaris
- 8e-06-15 - - -
Cricetulus griseus
- - - - 30
Homo sapiens
0.11-820 6.63-530 - 1.2-759 10-40
Mustela putorius furo
2.7-8 - - - -
Oryctolagus cuniculus
38-76 - - - -
Rattus norvegicus
1.1-5 2-800 - 101-990 13-110
Sus scrofa
309.03-310 - 1.33 - -

Related Entries

Cross References

Resources Reference
ChEBI 18243
ChEMBL CHEMBL59
DrugBank DB00988
DrugCentral 947
FDA SRS VTD58H1Z2X
Human Metabolome Database HMDB0000073
Guide to Pharmacology 940
KEGG C03758
PDB LDP
PharmGKB PA449396
PubChem 681
SureChEMBL SCHEMBL8505
ZINC ZINC000000033882
CONTENTS