GPCRdb

CHEMBL418333

Agent/drug
Bioactivity

CHEMBL418333

SMILES	CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O
InChIKey	IWALGNIFYOBRKC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	392.1

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Rat	Adenosine	A	pKi	6.37	6.70	6.85	ChEMBL
A_2A	AA2AR	Guinea pig	Adenosine	A	pKi	6.15	6.15	6.15	ChEMBL
A_2A	AA2AR	Rat	Adenosine	A	pKi	5.85	5.95	6.10	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	6.60	6.60	6.60	ChEMBL
A₃	AA3R	Rat	Adenosine	A	pKi	4.04	4.04	4.04	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	6.74	6.74	6.74	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Bovine	Adenosine	A	pIC50	8.47	8.47	8.47	ChEMBL
A₁	AA1R	Rat	Adenosine	A	pIC50	6.92	6.92	6.92	ChEMBL
TSH	TSHR	Human	Glycoprotein hormone	A	Potency	4.40	4.40	4.40	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL418333

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.