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Ligand

NameCHEMBL161163
Molecular formulaC23H23BrCl2N4O2
IUPAC nameN-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
Molecular weight538.267
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50123688
4-Bromo-1-(2,4-dichloro-phenyl)-5-(4-methoxy-phenyl)-1H-pyrazole-3-carboxylic acid azepan-1-ylamide
Inchi KeyALSKRPLYHBBLEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23BrCl2N4O2/c1-32-17-9-6-15(7-10-17)22-20(24)21(23(31)28-29-12-4-2-3-5-13-29)27-30(22)19-11-8-16(25)14-18(19)26/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
PubChem CID10886022
ChEMBLCHEMBL161163
IUPHARN/A
BindingDB50123688
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
8546Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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