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Ligand

NameCHEMBL118630
Molecular formulaC34H37FN2O6
IUPAC name3-[(3R,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-oxopropanoic acid
Molecular weight588.676
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
Synonyms(3R,5S)-1-(2-Fluorobenzyl)-3-(1-adamantylmethyl)-4-acetyl-2,7,beta-trioxo-2,3,4,5,6,7-hexahydro-1H-1,4-benzodiazonine-5-propionic acid
Inchi KeyDULPIFZCJNQTLS-FKVSENEQSA-N
Inchi IDInChI=1S/C34H37FN2O6/c1-20(38)37-28(31(40)14-32(41)42)13-30(39)25-7-3-5-9-27(25)36(19-24-6-2-4-8-26(24)35)33(43)29(37)18-34-15-21-10-22(16-34)12-23(11-21)17-34/h2-9,21-23,28-29H,10-19H2,1H3,(H,41,42)/t21?,22?,23?,28-,29+,34?/m0/s1
PubChem CID15513861
ChEMBLCHEMBL118630
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
69208Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
69209Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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