GPCRdb

CHEMBL4473739

Agent/drug
Bioactivity

CHEMBL4473739

SMILES	NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1
InChIKey	NBDHEWVPZVSZLX-GEKCLDMMSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	4
Rotatable bonds	3
Molecular weight (Da)	254.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	5.72	5.72	5.72	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.63	5.63	5.63	ChEMBL
A₁	AA1R	Mouse	Adenosine	A	pKi	7.60	7.60	7.60	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	6.30	6.30	6.30	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	pIC50	7.06	7.06	7.06	ChEMBL
A₁	AA1R	Human	Adenosine	A	pEC50	5.61	5.87	6.12	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4473739

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.