GPCRdb

CHEMBL5170857

Agent/drug
Bioactivity

CHEMBL5170857

SMILES	CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey	BFRLXNXMJLTBAD-MDIPFLTBSA-N

Chemical Properties

Hydrogen bond acceptors	11
Hydrogen bond donors	4
Rotatable bonds	9
Molecular weight (Da)	512.2

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	pKd	6.15	6.15	6.15	ChEMBL
A₁	AA1R	Rat	Adenosine	A	pKi	6.11	6.11	6.11	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKd	6.04	6.04	6.04	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	6.39	6.39	6.39	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pEC50	8.67	8.67	8.67	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pEC50	4.42	4.42	4.42	ChEMBL
A₃	AA3R	Human	Adenosine	A	pEC50	5.38	5.38	5.38	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5170857

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.