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Ligand

NameCHEMBL425807
Molecular formulaC26H27F3N6O3
IUPAC name4-(2-oxoimidazolidin-1-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
Molecular weight528.536
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50192582
SCHEMBL13356504
(R)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
Inchi KeyAGPAHEBTBWWURI-QFIPXVFZSA-N
Inchi IDInChI=1S/C26H27F3N6O3/c27-26(28,29)16-35-20-9-5-4-8-19(20)21(17-6-2-1-3-7-17)31-22(23(35)36)32-25(38)33-13-10-18(11-14-33)34-15-12-30-24(34)37/h1-9,18,22H,10-16H2,(H,30,37)(H,32,38)/t22-/m0/s1
PubChem CID11497403
ChEMBLCHEMBL425807
IUPHARN/A
BindingDB50192582
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
5091Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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