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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	SCHEMBL2443405
Molecular formula	C24H18Cl2F3N3O2
IUPAC name	5-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)phenyl]methyl]-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-3-one
Molecular weight	508.322
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BSYIUTMEBAJKRA-UHFFFAOYSA-N 2-[(2'-Chlorobiphenyl-3-yl)methyl]-5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one US9187466, 122 BDBM192472 CHEMBL3909196 US9687476, 122 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 [ Show all ]
Inchi Key	BSYIUTMEBAJKRA-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	53378951
ChEMBL	CHEMBL3909196
IUPHAR	N/A
BindingDB	192472
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
536822	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
536821	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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