sarpogrelate   Click here for help

GtoPdb Ligand ID: 210

Synonyms: Anplag® | LS-187,118 | MCI-9042
Approved drug
sarpogrelate is an approved drug
Compound class: Synthetic organic
Comment: Sarpogrelate is a 5-HT2A/ 5-HT2B receptor antagonist which blocks serotonin-induced platelet aggregation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 85.3
Molecular weight 429.22
XLogP 3.28
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C
Isomeric SMILES COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C
InChI InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
InChI Key FFYNAVGJSYHHFO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
4-[1-dimethylamino-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
International Nonproprietary Names Click here for help
INN number INN
6611 sarpogrelate
Synonyms Click here for help
Anplag® | LS-187,118 | MCI-9042
Database Links Click here for help
BindingDB Ligand 50015571
CAS Registry No. 125926-17-2 (source: Scifinder)
ChEMBL Ligand CHEMBL52939
DrugCentral Ligand 2423
GtoPdb PubChem SID 135650981
PubChem CID 5160
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Wikipedia Sarpogrelate