Biased Signaling Atlas

AB928

Agent/drug
Bioactivity

AB928

SMILES	Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1
InChIKey	BUXIAWLTBSXYSW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	2
Rotatable bonds	5
Molecular weight (Da)	426.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8CIC 8C9W 8JWZ

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2A	AA2AR	Human	Adenosine	A	pKi	8.82	8.82	8.82	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2A	AA2AR	Human	Adenosine	A	pIC50	7.00	7.00	7.00	Guide to Pharmacology

Showing 1 to 1 of 1 entry

AB928

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 2

Phase II 8

Phase III 0

Phase IV 0

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8CIC 8C9W 8JWZ

Sankey plot

Drug Information

Search:

Target					Disease

Gene	Protein	Receptor family	Ligand type	Class	Name	Phase	ICD11	ATC	Association score

AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	A	Adenocarcinoma of prostate	2	2C82.0		0.125
AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	A	Malignant neoplasms of prostate, unspecified	2	2C82.Z		0.090
AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	A	Malignant neoplasms of rectosigmoid junction, unspecified	1	2B91.Z		0.057
AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	A	Malignant neoplasms of rectum, unspecified	2	2B92.Z		0.074
AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	A	Other specified malignant neoplasms of bronchus or lung	2	2C25.Y		0.120
AA2BR	A_2B receptor	Adenosine receptors	Nucleotide receptors	A	Adenocarcinoma of prostate	2	2C82.0		0.083
AA2BR	A_2B receptor	Adenosine receptors	Nucleotide receptors	A	Malignant neoplasms of prostate, unspecified	2	2C82.Z		0.085
AA2BR	A_2B receptor	Adenosine receptors	Nucleotide receptors	A	Malignant neoplasms of rectosigmoid junction, unspecified	1	2B91.Z		0.022
AA2BR	A_2B receptor	Adenosine receptors	Nucleotide receptors	A	Malignant neoplasms of rectum, unspecified	2	2B92.Z		0.074
AA2BR	A_2B receptor	Adenosine receptors	Nucleotide receptors	A	Other specified malignant neoplasms of bronchus or lung	2	2C25.Y		0.109

Showing 1 to 10 of 10 entries