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Ligand

NameCHEMBL264150
Molecular formulaC30H37N9O4
IUPAC name2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,3,5-benzotriazepin-3-yl]-N-[3-[methyl(2H-tetrazol-5-yl)amino]phenyl]acetamide
Molecular weight587.685
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50411971
FBOPUWVLYGBEMF-UHFFFAOYSA-N
2-[1-Cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-2,4-dioxo-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl]-N-{3-[methyl-(2H-tetrazol-5-yl)-amino]-phenyl}-acetamide
SCHEMBL5436447
Inchi KeyFBOPUWVLYGBEMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H37N9O4/c1-30(2,3)25(40)18-37-23-15-8-9-16-24(23)39(21-12-6-5-7-13-21)29(43)38(28(37)42)19-26(41)31-20-11-10-14-22(17-20)36(4)27-32-34-35-33-27/h8-11,14-17,21H,5-7,12-13,18-19H2,1-4H3,(H,31,41)(H,32,33,34,35)
PubChem CID44451547
ChEMBLCHEMBL264150
IUPHARN/A
BindingDB50411971
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
74401Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
74402Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
74403Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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