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Ligand

NameCHEMBL1165432
Molecular formulaC29H26FN5O4
IUPAC nameN-[4-[3-[(3-amino-2,2-dimethylpropyl)carbamoyl]phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight527.556
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.2
SynonymsSCHEMBL13801716
BDBM50320823
N-[4-{3-[(3-Amino-2,2-dimethylpropyl)carbamoyl]-phenyl}-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]-furan-2-carboxamide
Inchi KeyFNXVBWFYIVIMIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H26FN5O4/c1-29(2,15-32)16-33-27(37)18-6-3-5-17(11-18)21-13-23(20-9-8-19(30)12-24(20)36)34-26(22(21)14-31)35-28(38)25-7-4-10-39-25/h3-13,36H,15-16,32H2,1-2H3,(H,33,37)(H,34,35,38)
PubChem CID136016412
ChEMBLCHEMBL1165432
IUPHARN/A
BindingDB50320823
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
559877KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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