GPCRdb

CHEMBL225571

Agent/drug
Bioactivity

CHEMBL225571

SMILES	O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCc2ccccc21
InChIKey	ZBUOQRCOVPVZEE-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	9
Molecular weight (Da)	450.3

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_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.74	6.74	6.74	ChEMBL
5-HT₇	5HT7R	Rat	5-Hydroxytryptamine	A	pKi	7.20	7.20	7.20	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.17	6.17	6.17	PDSP Ki database
D₂	DRD2	Human	Dopamine	A	pKi	6.17	6.17	6.17	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT₇	5HT7R	Guinea pig	5-Hydroxytryptamine	A	pEC50	5.00	5.00	5.00	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL225571

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.