dopamine

Ligand id: 940

Name: dopamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 66.48
Molecular weight 153.08
XLogP 0.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1974))
IUPAC Name
4-(2-Aminoethyl)benzene-1,2-diol
International Nonproprietary Names
INN number INN
2417 dopamine
Synonyms
3-hydroxytyramine
Database Links
BindingDB Ligand 50002316
CAS Registry No. 51-61-6
ChEBI CHEBI:18243
ChEMBL Ligand CHEMBL59
DrugBank Ligand DB00988
Human Metabolome Database HMDB00073
PharmGKB Drug PA449396
PubChem CID 681
RCSB PDB Ligand LDP
Search Google for chemical match using the InChIKey VYFYYTLLBUKUHU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VYFYYTLLBUKUHU
Search PubMed clinical trials dopamine
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Wikipedia Dopamine
Comments
Dopamine is the precursor to norepinephrine (noradrenaline) and epinephrine ((±)-adrenaline).