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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	CHEMBL3325631
Molecular formula	C31H37ClN6O3
IUPAC name	N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide;hydrochloride
Molecular weight	577.126
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	None
Synonyms	BDBM50100187
Inchi Key	DZMXUEOBHHOQQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H36N6O3.ClH/c1-5-6-29(38)26-18-32-37(22(26)3)24-10-8-23(9-11-24)33-31(40)27-19-36(28-12-7-21(2)17-25(27)28)20-30(39)35-15-13-34(4)14-16-35;/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,40);1H
PubChem CID	118711069
ChEMBL	CHEMBL3325631
IUPHAR	N/A
BindingDB	50100187
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
444572	P2Y purinoceptor 12	Q9EPX4	P2ry12	Rattus norvegicus (Rat)	343
444573	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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