PF-05105679   Click here for help

GtoPdb Ligand ID: 10300

Synonyms: PF05105679
Compound class: Synthetic organic
Comment: PF-05105679 is a selective inhibitor of TRPM8 ion channel activity [1].
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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 7
Topological polar surface area 70.5
Molecular weight 428.15
XLogP 5.39
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)C(N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C
Isomeric SMILES Fc1ccc(cc1)[C@H](N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C
InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
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Database Links Click here for help
BindingDB Ligand 50089245
ChEMBL Ligand CHEMBL3577885
GtoPdb PubChem SID 381744981
PubChem CID 60195662
Search Google for chemical match using the InChIKey BXNMZRPTQFVRFA-QGZVFWFLSA-N
Search Google for chemicals with the same backbone BXNMZRPTQFVRFA
UniChem Compound Search for chemical match using the InChIKey BXNMZRPTQFVRFA-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey BXNMZRPTQFVRFA-QGZVFWFLSA-N

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PF 05105679 (links to external site)
Cat. No. 6003