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Ligand

NameCHEMBL301331
Molecular formulaC31H22FN5
IUPAC name(4R)-6-(2-fluorophenyl)-4-(1H-indol-3-ylmethyl)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular weight483.55
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.1
Synonyms6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene(0.55CHCl3)
BDBM50023143
Inchi KeyBJLTXDPMBHCOCC-HHHXNRCGSA-N
Inchi IDInChI=1S/C31H22FN5/c32-25-15-7-4-13-23(25)29-24-14-6-9-17-28(24)37-30(20-10-2-1-3-11-20)35-36-31(37)27(34-29)18-21-19-33-26-16-8-5-12-22(21)26/h1-17,19,27,33H,18H2/t27-/m1/s1
PubChem CID13953696
ChEMBLCHEMBL301331
IUPHARN/A
BindingDB50023143
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25266Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
25265Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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