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Ligand

NameCHEMBL386204
Molecular formulaC30H26ClF3N6O3
IUPAC name4-(4-chloro-2-oxo-3H-benzimidazol-1-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
Molecular weight611.022
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50192569
(R)-4-(4-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
Inchi KeyCNTHOEWPBZJQQV-SANMLTNESA-N
Inchi IDInChI=1S/C30H26ClF3N6O3/c31-21-10-6-12-23-25(21)36-29(43)40(23)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)22-11-5-4-9-20(22)24(35-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,36,43)(H,37,42)/t26-/m0/s1
PubChem CID44416437
ChEMBLCHEMBL386204
IUPHARN/A
BindingDB50192569
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46309Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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