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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	FK-453
Molecular formula	C23H25N3O2
IUPAC name	(E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
Molecular weight	375.472
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.2
Synonyms	FK 453 FR113453 (E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one BDBM50079652 FR 113452 SCHEMBL2826910 (R-(E))-1-(1-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-2-propenyl)-2-piperidineethanol 2-Piperidineethanol, 1-(1-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-2-propenyl)-, (R-(E))- CHEMBL440115 FR-453 (+)-(R)-((E)-3-(2-Phenylpyrazolo(1,5-a)pyridin-3-yl)acryloyl)-2-piperidineethanol GTPL5606 (E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone 1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone C23H25N3O2 FR 113453 SCHEMBL3074643 2-Propen-1-one,1-[(2R)-2-(2-hydroxyethyl)-1-piperidinyl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-,(2E)- D01VPK FR113452 (+)-(R)-(1-(E)-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)acryl)-2-piperidine ethanol AC1O5QYH FK453 LS-115475 (R)-1-(2-(2-hydroxyethyl)piperidin-1-yl)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one 121524-18-3 FR-113453 ZINC1486608 [ Show all ]
Inchi Key	OPLOPFHUHFGKMJ-JXOMPUQVSA-N
Inchi ID	InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
PubChem CID	6439091
ChEMBL	CHEMBL440115
IUPHAR	5606
BindingDB	50079652
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
247122	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
247123	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
247125	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
247126	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
247121	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
247127	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
247130	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
247128	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
247129	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
247124	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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