GPCRdb

DOXORUBICIN

Agent/drug
Bioactivity

DOXORUBICIN

SMILES	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIKey	AOJJSUZBOXZQNB-TZSSRYMLSA-N

Chemical Properties

Hydrogen bond acceptors	12
Hydrogen bond donors	6
Rotatable bonds	5
Molecular weight (Da)	543.2

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

5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	4.80	4.80	4.80	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	8.32	8.32	8.32	Drug Central
5-HT₄	5HT4R	Guinea pig	5-Hydroxytryptamine	A	pKi	8.25	8.25	8.25	Drug Central
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	5.43	5.43	5.43	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	8.26	8.26	8.26	Drug Central

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	4.46	4.46	4.46	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	4.81	4.81	4.81	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	6.20	6.20	6.20	ChEMBL

Showing 1 to 3 of 3 entries

DOXORUBICIN

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.