(+)-SKF-82526   Click here for help

GtoPdb Ligand ID: 933

Compound class: Synthetic organic
Comment: This isomer is component of the approved drug Fenoldopam, which is used to treat severe hypertension. (+)-SKF-82526 is the more active isomer. See our ligand entry for fenoldopam for more details.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 72.72
Molecular weight 305.08
XLogP 2.59
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O
Isomeric SMILES Oc1ccc(cc1)[C@@H]1CNCCc2c1cc(O)c(c2Cl)O
InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4673 fenoldopam
Database Links Click here for help
Specialist databases
GPCRdb Ligand (+)-SKF-82526
Other databases
CAS Registry No. 67227-57-0 (source: DrugBank)
ChEMBL Ligand CHEMBL1161520
DrugBank Ligand DB00800
GtoPdb PubChem SID 135651053
PubChem CID 6603851
Search Google for chemical match using the InChIKey TVURRHSHRRELCG-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone TVURRHSHRRELCG
Search PubMed clinical trials fenoldopam
Search PubMed titles fenoldopam
Search PubMed titles/abstracts fenoldopam
UniChem Compound Search for chemical match using the InChIKey TVURRHSHRRELCG-ZDUSSCGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey TVURRHSHRRELCG-ZDUSSCGKSA-N
Wikipedia Fenoldopam