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Ligand

NameCHEMBL1169893
Molecular formulaC27H23N5O3S
IUPAC nameN-[3-cyano-4-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight497.573
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.5
SynonymsSCHEMBL4208475
BDBM50322315
N-(3-cyano-4-(3-(2-(dimethylamino)acetamido)phenyl)-6-(2-hydroxyphenyl)pyridin-2-yl)thiophene-2-carboxamide
Inchi KeyDPBXXZXVCPSJJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23N5O3S/c1-32(2)16-25(34)29-18-8-5-7-17(13-18)20-14-22(19-9-3-4-10-23(19)33)30-26(21(20)15-28)31-27(35)24-11-6-12-36-24/h3-14,33H,16H2,1-2H3,(H,29,34)(H,30,31,35)
PubChem CID136016471
ChEMBLCHEMBL1169893
IUPHARN/A
BindingDB50322315
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
559331KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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