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Ligand

NameCHEMBL507051
Molecular formulaC37H38N6O5
IUPAC name3-[(3S)-4-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-3-[(methylcarbamoylamino)methyl]piperazin-1-yl]naphthalene-1-carboxylic acid
Molecular weight646.748
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.4
SynonymsBDBM50245184
3-((S)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoic acid
Inchi KeyBOCKWGFSDAIAGV-LJAQVGFWSA-N
Inchi IDInChI=1S/C37H38N6O5/c1-4-48-30-10-7-9-27(19-30)43-23-33(40-34(43)25-14-12-24(2)13-15-25)35(44)42-17-16-41(22-29(42)21-39-37(47)38-3)28-18-26-8-5-6-11-31(26)32(20-28)36(45)46/h5-15,18-20,23,29H,4,16-17,21-22H2,1-3H3,(H,45,46)(H2,38,39,47)/t29-/m0/s1
PubChem CID44562299
ChEMBLCHEMBL507051
IUPHARN/A
BindingDB50245184
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28646Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428

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