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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	CHEMBL3325891
Molecular formula	C28H31ClN8O3
IUPAC name	N-[6-(4-butanoyl-5-methylpyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight	563.059
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-[6-(4-Butyryl-5-methyl-1H-pyrazole-1-yl)pyridazine-3-yl]-5-chloro-1-[2-(4-methylpiperazine-1-yl)-2-oxoethyl]-1H-indole-3-carboxamide SCHEMBL13505686 BDBM50100247 N-[6-(4-butanoyl-5-methyl-1h-pyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1h-indole-3-carboxamide ZINC203553584
Inchi Key	BJGNAIOOAINEET-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40)
PubChem CID	66575899
ChEMBL	CHEMBL3325891
IUPHAR	N/A
BindingDB	50100247
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
442649	P2Y purinoceptor 12	Q9EPX4	P2ry12	Rattus norvegicus (Rat)	343
442650	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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