Ligand id: 210

Name: sarpogrelate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 85.3
Molecular weight 429.22
XLogP 4.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Muntasir HA, Hossain M, Bhuiyan MA, Komiyama T, Nakamura T, Ozaki M, Nagatomo T. (2007)
Identification of a key amino acid of the human 5-HT(2B) serotonin receptor important for sarpogrelate binding.
J. Pharmacol. Sci., 104 (3): 274-7. [PMID:17609583]
2. Nishio H, Inoue A, Nakata Y. (1996)
Binding affinity of sarpogrelate, a new antiplatelet agent, and its metabolite for serotonin receptor subtypes.
Arch Int Pharmacodyn Ther, 331 (2): 189-202. [PMID:8937629]
3. Pertz H, Elz S. (1995)
In-vitro pharmacology of sarpogrelate and the enantiomers of its major metabolite: 5-HT2A receptor specificity, stereoselectivity and modulation of ritanserin-induced depression of 5-HT contractions in rat tail artery.
J. Pharm. Pharmacol., 47 (4): 310-6. [PMID:7791029]
4. Rashid M, Manivet P, Nishio H, Pratuangdejkul J, Rajab M, Ishiguro M, Launay JM, Nagatomo T. (2003)
Identification of the binding sites and selectivity of sarpogrelate, a novel 5-HT2 antagonist, to human 5-HT2A, 5-HT2B and 5-HT2C receptor subtypes by molecular modeling.
Life Sci, 73: 193-207. [PMID:12738034]