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Ligand

NameCHEMBL115612
Molecular formulaC27H28N6O3
IUPAC name1-(3-aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea
Molecular weight484.56
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.2
SynonymsSCHEMBL1389112
BDBM50056086
PDSP1_000894
PDSP2_000880
1-(3-Amino-phenyl)-3-[(R)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-urea
Inchi KeyABJHMASUFPDZRW-DEOSSOPVSA-N
Inchi IDInChI=1S/C27H28N6O3/c1-27(2,3)22(34)16-33-21-13-5-4-11-19(21)23(20-12-6-7-14-29-20)31-24(25(33)35)32-26(36)30-18-10-8-9-17(28)15-18/h4-15,24H,16,28H2,1-3H3,(H2,30,32,36)/t24-/m0/s1
PubChem CID23844130
ChEMBLCHEMBL115612
IUPHARN/A
BindingDB50056086
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
903Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
904Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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