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Ligand

NameCHEMBL14557
Molecular formulaC38H38N4O7
IUPAC name5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1H-indole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight662.743
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP5.5
SynonymsGTPL908
[3H]JB-93182
5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)1H-indole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
JB-93182
BDBM50213845
[ Show all ]
Inchi KeyDKYQJTXTKSMTHK-FGLZHOHTSA-N
Inchi IDInChI=1S/C38H38N4O7/c43-33(40-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-31-25(6-7-39-31)15-29(30)34(44)42-32(11-21-4-2-1-3-5-21)35(45)41-28-13-26(36(46)47)12-27(14-28)37(48)49/h1-7,12-16,22-24,32,39H,8-11,17-20H2,(H,40,43)(H,41,45)(H,42,44)(H,46,47)(H,48,49)/t22?,23?,24?,32-,38?/m0/s1
PubChem CID9939572
ChEMBLCHEMBL14557
IUPHAR908
BindingDB50213845
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
62725Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
62723Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
62724Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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