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Ligand

NameCHEMBL1171296
Molecular formulaC30H26FN5O4
IUPAC nameN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]pyridin-2-yl]furan-2-carboxamide
Molecular weight539.567
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.8
SynonymsN-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-{3-[(pyrrolidin-1-ylacetyl)amino]phenyl}pyridin-2-yl]furan-2-carboxamide
SCHEMBL13801964
BDBM50322297
Inchi KeyBUCTUHCCKBUAHS-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H26FN5O4/c31-20-9-10-22(26(37)15-20)25-16-23(24(17-32)29(34-25)35-30(39)27-8-5-13-40-27)19-6-4-7-21(14-19)33-28(38)18-36-11-2-1-3-12-36/h4-10,13-16,37H,1-3,11-12,18H2,(H,33,38)(H,34,35,39)
PubChem CID136016492
ChEMBLCHEMBL1171296
IUPHARN/A
BindingDB50322297
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
558279KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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