dopamine   Click here for help

GtoPdb Ligand ID: 940

Synonyms: 3-hydroxytyramine
Approved drug PDB Ligand Immunopharmacology Ligand
dopamine is an approved drug (FDA (1974))
Comment: Dopamine is the precursor to norepinephrine (noradrenaline) and epinephrine ((±)-adrenaline).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 66.48
Molecular weight 153.08
XLogP 0.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1ccc(c(c1)O)O
Isomeric SMILES NCCc1ccc(c(c1)O)O
InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChI Key VYFYYTLLBUKUHU-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1974))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
4-(2-Aminoethyl)benzene-1,2-diol
International Nonproprietary Names Click here for help
INN number INN
2417 dopamine
Synonyms Click here for help
3-hydroxytyramine
Database Links Click here for help
BindingDB Ligand 50002316
CAS Registry No. 51-61-6
ChEBI CHEBI:18243
ChEMBL Ligand CHEMBL59
DrugBank Ligand DB00988
DrugCentral Ligand 947
GtoPdb PubChem SID 135651480
PubChem CID 681
RCSB PDB Ligand LDP
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Wikipedia Dopamine