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Ligand

NameCHEMBL1163739
Molecular formulaC27H23N5O4
IUPAC nameN-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)-5-methylpyridin-2-yl]furan-2-carboxamide
Molecular weight481.512
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.7
SynonymsBDBM50320824
N-{4-[3-(b-Alanylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)-5-methylpyridin-2-yl}furan-2-carboxamide
SCHEMBL13802031
Inchi KeyGIEQJUHXNONDDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23N5O4/c1-16-24(17-6-4-7-18(14-17)30-23(34)11-12-28)20(15-29)26(32-27(35)22-10-5-13-36-22)31-25(16)19-8-2-3-9-21(19)33/h2-10,13-14,33H,11-12,28H2,1H3,(H,30,34)(H,31,32,35)
PubChem CID136016413
ChEMBLCHEMBL1163739
IUPHARN/A
BindingDB50320824
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
560321KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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