GPCRdb

CHEMBL1789197

Agent/drug
Bioactivity

CHEMBL1789197

SMILES	CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12
InChIKey	MPOIRUJPRXFPTI-KESTWPANSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	548.2

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	Human	Adenosine	A	pKi	7.17	7.17	7.17	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.55	6.55	6.55	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	7.75	7.75	7.75	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2B	AA2BR	Human	Adenosine	A	pIC50	7.52	7.52	7.52	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1789197

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.