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Ligand

NameCHEMBL606380
Molecular formulaC29H24BrCl2N7O
IUPAC name[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
Molecular weight637.363
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.6
SynonymsBDBM50310016
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)(4-phenylpiperazin-1-yl)methanone
Inchi KeyASYAFQUAVQFPCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H24BrCl2N7O/c30-21-8-6-20(7-9-21)28-24(17-38-19-33-18-34-38)27(35-39(28)26-11-10-22(31)16-25(26)32)29(40)37-14-12-36(13-15-37)23-4-2-1-3-5-23/h1-11,16,18-19H,12-15,17H2
PubChem CID46231152
ChEMBLCHEMBL606380
IUPHARN/A
BindingDB50310016
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
13714Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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