dopamine

Ligand id: 940

Name: dopamine

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Structure and Physico-chemical Properties

2D Structure
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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 0.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
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
4-(2-Aminoethyl)benzene-1,2-diol
International Nonproprietary Names
INN number INN
2417 dopamine
Synonyms
3-hydroxytyramine
Comments
Dopamine is the precursor to norepinephrine (noradrenaline) and epinephrine ((±)-adrenaline).
Database Links
BindingDB Ligand 50002316
CAS Registry No. 51-61-6
ChEBI CHEBI:18243
ChEMBL Ligand CHEMBL59
DrugBank Ligand DB00988
GtoPdb PubChem SID 135651480
PubChem CID 681
RCSB PDB Ligand LDP
Search Google for chemical match using the InChIKey VYFYYTLLBUKUHU-UHFFFAOYSA-N
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Wikipedia Dopamine