ibipinabant   Click here for help

GtoPdb Ligand ID: 9234

Synonyms: BMS-646256 | SLV319 [1]
Compound class: Synthetic organic
Comment: Ibipinabant is a selective cannabinoid CB1 receptor antagonist [1], investigated for its clinical potential as an anti-obesity drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 82.51
Molecular weight 486.07
XLogP 6.14
No. Lipinski's rules broken 1
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Canonical SMILES CN=C(N1N=C(C(C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric SMILES CN=C(N1N=C([C@H](C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl
InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/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
8992 ibipinabant
Synonyms Click here for help
BMS-646256 | SLV319 [1]
Database Links Click here for help
Specialist databases
GPCRdb Ligand ibipinabant
Other databases
BindingDB Ligand 50230537
CAS Registry No. 464213-10-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL412262
GtoPdb PubChem SID 315661309
PubChem CID 9826744
Search Google for chemical match using the InChIKey AXJQVVLKUYCICH-OAQYLSRUSA-N
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UniChem Compound Search for chemical match using the InChIKey AXJQVVLKUYCICH-OAQYLSRUSA-N
UniChem Connectivity Search for chemical match using the InChIKey AXJQVVLKUYCICH-OAQYLSRUSA-N