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Ligand

NameCHEMBL1163888
Molecular formulaC27H23N5O3S
IUPAC nameN-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight497.573
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.3
SynonymsSCHEMBL5015360
BDBM50320813
N-{4-[3-(beta-Alanylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl}thiophene-2-carboxamide
Inchi KeyHYRQMHQVTRODKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23N5O3S/c1-16-7-8-19(23(33)12-16)22-14-20(17-4-2-5-18(13-17)30-25(34)9-10-28)21(15-29)26(31-22)32-27(35)24-6-3-11-36-24/h2-8,11-14,33H,9-10,28H2,1H3,(H,30,34)(H,31,32,35)
PubChem CID136016389
ChEMBLCHEMBL1163888
IUPHARN/A
BindingDB50320813
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
561254KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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