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Ligand

NameCHEMBL1171102
Molecular formulaC28H22FN5O4
IUPAC name(2R)-N-[3-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-(furan-2-carbonylamino)pyridin-4-yl]phenyl]pyrrolidine-2-carboxamide
Molecular weight511.513
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.0
SynonymsSCHEMBL13802016
BDBM50322294
N-(3-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-2-[(furan-2-ylcarbonyl)amino]pyridin-4-yl}phenyl)-D-prolinamide
Inchi KeyAQCSYEQEMDPBSA-JOCHJYFZSA-N
Inchi IDInChI=1S/C28H22FN5O4/c29-17-8-9-19(24(35)13-17)23-14-20(21(15-30)26(33-23)34-28(37)25-7-3-11-38-25)16-4-1-5-18(12-16)32-27(36)22-6-2-10-31-22/h1,3-5,7-9,11-14,22,31,35H,2,6,10H2,(H,32,36)(H,33,34,37)/t22-/m1/s1
PubChem CID136016489
ChEMBLCHEMBL1171102
IUPHARN/A
BindingDB50322294
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557623KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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