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Ligand

NameCHEMBL33554
Molecular formulaC24H22N4O2
IUPAC name1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(4-methylphenyl)urea
Molecular weight398.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.3
Synonyms1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-p-tolyl-urea
BDBM50006878
(R)-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolylurea
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L-365,260)
HWTHDEITPOXGRT-QFIPXVFZSA-N
[ Show all ]
Inchi KeyHWTHDEITPOXGRT-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
PubChem CID10475990
ChEMBLCHEMBL33554
IUPHARN/A
BindingDB50006878
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
125852Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
125854Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
520230Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
125851Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
125855Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
125856Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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