PF-514273   Click here for help

GtoPdb Ligand ID: 11693

Synonyms: compound 19d [PMID: 19351113] | PF 514273 | PF514273
Compound class: Synthetic organic
Comment: PF-514273 has activity as a cannabinoid 1 (CB1) receptor antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 46.84
Molecular weight 451.07
XLogP 6.02
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccc(cc1)c1c2OCCN(C(=O)c2nn1c1ccccc1Cl)CC(F)(F)C
Isomeric SMILES Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F
InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 19d [PMID: 19351113] | PF 514273 | PF514273
Database Links Click here for help
Specialist databases
GPCRdb Ligand PF-514273
Other databases
BindingDB Ligand 29075
CAS Registry No. 851728-60-4 (source: PubChem)
ChEMBL Ligand CHEMBL484929
GtoPdb PubChem SID 442878719
PubChem CID 11316919
Search Google for chemical match using the InChIKey FJMQJSUOOGOWBD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FJMQJSUOOGOWBD
UniChem Compound Search for chemical match using the InChIKey FJMQJSUOOGOWBD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FJMQJSUOOGOWBD-UHFFFAOYSA-N