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Ligand

NameCHEMBL381798
Molecular formulaC30H27F3N6O3
IUPAC name4-(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 weight576.58
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50184075
(R)-4-(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 KeyAXTGDADPVWGFHK-SANMLTNESA-N
Inchi IDInChI=1S/C30H27F3N6O3/c31-30(32,33)18-38-23-12-6-4-10-21(23)25(19-8-2-1-3-9-19)35-26(27(38)40)36-28(41)37-16-14-20(15-17-37)39-24-13-7-5-11-22(24)34-29(39)42/h1-13,20,26H,14-18H2,(H,34,42)(H,36,41)/t26-/m0/s1
PubChem CID11365194
ChEMBLCHEMBL381798
IUPHARN/A
BindingDB50184075
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
17061Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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