fenoldopam

Ligand Id: 939
Ligand name fenoldopam

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 72.72
Molecular weight 305.08
XLogP 2.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1997))
DrugBank groups approved
IUPAC Name
6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
International Nonproprietary Names
INN number INN
4673 fenoldopam
Synonyms
SKF 82526
Database Links
BindingDB Ligand 50020681
CAS Registry No. 67227-56-9 (source: ChEBI)
ChEBI CHEBI:5002
ChEMBL Ligand 119278
DrugBank Ligand DB00800
PharmGKB Drug PA164784034
PubChem CID 3341
Search Google for chemical match using the InChIKey TVURRHSHRRELCG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TVURRHSHRRELCG
Search PubMed clinical trials fenoldopam
Search PubMed titles fenoldopam
Search PubMed titles/abstracts fenoldopam
Wikipedia Fenoldopam
ZINC ZINC22116612
Comments
The approved drug fenoldopam is an racemic mixture of (+)-SKF-82526 and (-)-SKF-82526 stereoisomers. We show the non-isomeric structure to represent this mixture. Full details of the individual stereoisomers is available in our ligand entries for (+)-SKF-82526 (Ligand ID 933) and (-)-SKF-82526 (Ligand ID 985).