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Ligand

NameCHEMBL1171104
Molecular formulaC29H26FN5O4
IUPAC nameN-[3-cyano-4-[3-[2-(ethylamino)butanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight527.556
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.8
SynonymsBDBM50322296
N-[3-Cyano-4-{3-[(N,N-diethylglycyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Inchi KeyAVCJOCSUKBWQLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H26FN5O4/c1-3-23(32-4-2)28(37)33-19-8-5-7-17(13-19)21-15-24(20-11-10-18(30)14-25(20)36)34-27(22(21)16-31)35-29(38)26-9-6-12-39-26/h5-15,23,32,36H,3-4H2,1-2H3,(H,33,37)(H,34,35,38)
PubChem CID136016491
ChEMBLCHEMBL1171104
IUPHARN/A
BindingDB50322296
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
557694KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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