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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	CHEMBL90869
Molecular formula	C23H29F3N4O3
IUPAC name	N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide
Molecular weight	466.505
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.6
Synonyms	BDBM50408192
Inchi Key	LIKJINLMRISDIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3
PubChem CID	10552164
ChEMBL	CHEMBL90869
IUPHAR	N/A
BindingDB	50408192
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
188279	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
188280	Alpha-1A adrenergic receptor	O02824	ADRA1A	Oryctolagus cuniculus (Rabbit)	466
188281	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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