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Ligand

NameSCHEMBL2443405
Molecular formulaC24H18Cl2F3N3O2
IUPAC name5-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)phenyl]methyl]-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-3-one
Molecular weight508.322
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM192472
CHEMBL3909196
2-[(2'-Chlorobiphenyl-3-yl)methyl]-5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)-2,4-di-hydro-3H-1,2,4-triazol-3-one
US9687476, 122
BSYIUTMEBAJKRA-UHFFFAOYSA-N
[ Show all ]
Inchi KeyBSYIUTMEBAJKRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18Cl2F3N3O2/c25-18-10-8-16(9-11-18)22-30-32(23(34)31(22)14-21(33)24(27,28)29)13-15-4-3-5-17(12-15)19-6-1-2-7-20(19)26/h1-12,21,33H,13-14H2
PubChem CID53378951
ChEMBLCHEMBL3909196
IUPHARN/A
BindingDB192472
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536822Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
536821Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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