GPCRdb

CHEMBL484900

Agent/drug
Bioactivity

CHEMBL484900

SMILES	CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O
InChIKey	BUGBHBGTCARRNY-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	526.2

Database connections

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	6.96	6.96	6.96	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	5.64	5.64	5.64	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	5.64	5.64	5.64	PDSP Ki database
A_2A	AA2AR	Rat	Adenosine	A	pKi	6.11	6.11	6.11	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.56	6.56	6.56	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.56	6.56	6.56	PDSP Ki database
A_2B	AA2BR	Human	Adenosine	A	pKi	9.35	9.35	9.35	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	9.35	9.35	9.35	PDSP Ki database
A₃	AA3R	Human	Adenosine	A	pKi	6.00	6.00	6.00	PDSP Ki database

Showing 1 to 9 of 9 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2B	AA2BR	Human	Adenosine	A	pIC50	8.49	8.49	8.49	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL484900

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 PubChem GPCRdb

Compound is not listed as a drug.