Ligand Id: 940
Ligand name dopamine

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

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
IUPAC Name
4-(2-Aminoethyl)benzene-1,2-diol
International Nonproprietary Names
INN number INN
2417 dopamine
Synonyms
3-hydroxytyramine
intropin
Database Links
BindingDB Ligand 50002316
CAS Registry No. 51-61-6 (source: DrugBank), 62-31-7 (source: NCI)
ChEBI CHEBI:18243
ChEMBL Ligand 544077, 206789, 367505, 367506, 367507, 104584
DrugBank Ligand DB00988
Human Metabolome Database HMDB00073
PharmGKB Drug PA449396
PubChem CID 681
RCSB PDB Ligand LDP
Search on ChemSpider VYFYYTLLBUKUHU-UHFFFAOYSA-N
Wikipedia Dopamine
ZINC ZINC00033882

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org