GPCRdb

CHEMBL3597635

Agent/drug
Bioactivity

CHEMBL3597635

SMILES	O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1
InChIKey	RRYFTJVIXONIOF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	438.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.60	8.60	8.60	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	9.48	9.48	9.48	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	8.42	8.42	8.42	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.80	7.80	7.80	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.46	9.46	9.46	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	8.05	8.05	8.05	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	7.54	7.54	7.54	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	6.77	6.77	6.77	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	8.13	8.13	8.13	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.70	7.70	7.70	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL3597635

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.