GPCRdb

CHEMBL139505

Agent/drug
Bioactivity

CHEMBL139505

SMILES	COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12
InChIKey	XTICRBGKPDRHCR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	361.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	8.79	8.79	8.79	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.38	8.38	8.38	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.90	7.90	7.90	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	9.42	9.42	9.42	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.52	8.97	9.42	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	6.35	6.35	6.35	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	8.90	8.90	8.90	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL139505

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.