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Ligand

NameCHEMBL509464
Molecular formulaC38H39N5O5
IUPAC name3-[(3S)-4-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-3-(propan-2-ylcarbamoyl)piperazin-1-yl]naphthalene-1-carboxylic acid
Molecular weight645.76
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.4
SynonymsSCHEMBL2915467
3-((S)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-3-(isopropylcarbamoyl)piperazin-1-yl)-1-naphthoic acid
BDBM50245186
Inchi KeyXEPDAVKYYAQBPR-UMSFTDKQSA-N
Inchi IDInChI=1S/C38H39N5O5/c1-5-48-30-11-8-10-28(20-30)43-22-33(40-35(43)26-15-13-25(4)14-16-26)37(45)42-18-17-41(23-34(42)36(44)39-24(2)3)29-19-27-9-6-7-12-31(27)32(21-29)38(46)47/h6-16,19-22,24,34H,5,17-18,23H2,1-4H3,(H,39,44)(H,46,47)/t34-/m0/s1
PubChem CID44562301
ChEMBLCHEMBL509464
IUPHARN/A
BindingDB50245186
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
389846Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
389847Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436

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