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Ligand

NameCHEMBL298521
Molecular formulaC38H37N3O7S
IUPAC name5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1-benzothiophene-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight679.788
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP6.3
Synonyms5-[[(S)-2-[[6-[[(1-Adamantylmethyl)amino]carbonyl]-1-benzothiophen-5-yl]carbonylamino]-3-phenylpropionyl]amino]isophthalic acid
Inchi KeyCYGJFXUMPQHGIU-PGPOWNPESA-N
Inchi IDInChI=1S/C38H37N3O7S/c42-33(39-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-32-25(6-7-49-32)15-29(30)34(43)41-31(11-21-4-2-1-3-5-21)35(44)40-28-13-26(36(45)46)12-27(14-28)37(47)48/h1-7,12-16,22-24,31H,8-11,17-20H2,(H,39,42)(H,40,44)(H,41,43)(H,45,46)(H,47,48)/t22?,23?,24?,31-,38?/m0/s1
PubChem CID10652142
ChEMBLCHEMBL298521
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53469Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
53470Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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