ArrestinDb

CHEMBL124345

Agent/drug
Bioactivity

CHEMBL124345

SMILES	N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1
InChIKey	MUJWBVGOOQHTTJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	332.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	7ARO

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pKi	8.52	8.57	8.62	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKd	6.51	6.51	6.51	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	7.55	7.84	8.13	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKd	7.97	7.97	7.97	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	7.40	7.40	7.40	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	6.77	7.07	7.38	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2A	AA2AR	Human	Adenosine	A	pEC50	8.01	8.01	8.01	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pEC50	7.72	7.72	7.72	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL124345

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
Structure pdb	7ARO

Compound is not listed as a drug.