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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	CHEMBL88435
Molecular formula	C22H31N5O
IUPAC name	N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
Molecular weight	381.524
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50408205
Inchi Key	PLJCELRWRGZCMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
PubChem CID	10833725
ChEMBL	CHEMBL88435
IUPHAR	N/A
BindingDB	50408205
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
262641	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
262642	Alpha-1A adrenergic receptor	O02824	ADRA1A	Oryctolagus cuniculus (Rabbit)	466
262640	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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