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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	CHEMBL420997
Molecular formula	C25H25FN6
IUPAC name	3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propanenitrile
Molecular weight	428.515
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.8
Synonyms	BDBM50122810 L022035 3-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-propionitrile SCHEMBL6598273
Inchi Key	FVDPLVKCBNWFME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25FN6/c1-30-17-28-25(29-30)19-3-8-24-22(15-19)23(16-32(24)21-6-4-20(26)5-7-21)18-9-13-31(14-10-18)12-2-11-27/h3-8,15-18H,2,9-10,12-14H2,1H3
PubChem CID	9910451
ChEMBL	CHEMBL420997
IUPHAR	N/A
BindingDB	50122810
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
88016	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
88011	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
88014	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
88010	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
88013	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
88008	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
88017	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
88012	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
88015	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
88009	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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