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Ligand

NameCHEMBL1172940
Molecular formulaC28H24FN5O3
IUPAC nameN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]pyridin-2-yl]furan-2-carboxamide
Molecular weight497.53
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50322301
N-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]pyridin-2-yl}furan-2-carboxamide
SCHEMBL13802113
Inchi KeyHKKZYFOWBDIXIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H24FN5O3/c1-33-9-11-34(12-10-33)20-5-2-4-18(14-20)22-16-24(21-8-7-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-6-3-13-37-26/h2-8,13-16,35H,9-12H2,1H3,(H,31,32,36)
PubChem CID136016518
ChEMBLCHEMBL1172940
IUPHARN/A
BindingDB50322301
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
560927KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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