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Ligand

NameCHEMBL259557
Molecular formulaC32H37N5O4S
IUPAC name2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,3,5-benzotriazepin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
Molecular weight587.739
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50411974
CIOVKGNUGVLAMD-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-(2-methyl-thiazol-4-yl)-phenyl]-acetamide
SCHEMBL5445087
Inchi KeyCIOVKGNUGVLAMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37N5O4S/c1-21-33-25(20-42-21)22-11-10-12-23(17-22)34-29(39)19-36-30(40)35(18-28(38)32(2,3)4)26-15-8-9-16-27(26)37(31(36)41)24-13-6-5-7-14-24/h8-12,15-17,20,24H,5-7,13-14,18-19H2,1-4H3,(H,34,39)
PubChem CID44451877
ChEMBLCHEMBL259557
IUPHARN/A
BindingDB50411974
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42865Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
42866Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
42867Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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