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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	MLS000572885
Molecular formula	C24H21ClN2O2
IUPAC name	2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione
Molecular weight	404.894
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.2
Synonyms	2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione BDBM79534 HMS2171E23 UNM000000635401 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione CBMicro_002262 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone AC1LQ9JM cid_1345509 SMSF0018266 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5,5-dimethyl-1,3-cyclohexanedione BIM-0002481.P001 HMS3308P05 ZINC1181900 313273-04-0 MolPort-000-420-997 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione AKOS001666748 DTXSID30361878 STK701730 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5,5-dimethylcyclohexane-1,3-dione CB04138 MCULE-9507708385 2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione CHEMBL1528569 SMR000194522 [ Show all ]
Inchi Key	CCVYYARDAZOYCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21ClN2O2/c1-24(2)13-21(28)20(22(29)14-24)12-17-15-27(19-6-4-3-5-7-19)26-23(17)16-8-10-18(25)11-9-16/h3-12,15H,13-14H2,1-2H3
PubChem CID	1345509
ChEMBL	CHEMBL1528569
IUPHAR	N/A
BindingDB	79534
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
39003	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
39002	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418

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