GPCRdb

CHEMBL486688

Agent/drug
Bioactivity

CHEMBL486688

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

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	576.2

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	Human	Adenosine	A	pKi	5.58	5.58	5.58	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	5.58	5.58	5.58	PDSP Ki database
A₁	AA1R	Rat	Adenosine	A	pKi	6.56	6.56	6.56	ChEMBL
A_2A	AA2AR	Rat	Adenosine	A	pKi	5.77	5.77	5.77	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.51	6.51	6.51	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.51	6.51	6.51	PDSP Ki database
A_2B	AA2BR	Human	Adenosine	A	pKi	9.11	9.11	9.11	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	9.11	9.11	9.11	PDSP Ki database
A₃	AA3R	Human	Adenosine	A	pKi	4.52	4.52	4.52	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	5.00	5.00	5.00	PDSP Ki database

Showing 1 to 10 of 10 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2B	AA2BR	Human	Adenosine	A	pIC50	8.45	8.45	8.45	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL486688

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.