GPCRdb

CHEMBL79161

Agent/drug
Bioactivity

CHEMBL79161

SMILES	COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIKey	JJNSORDALXSHNX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	413.2

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	9.05	9.05	9.05	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	7.27	7.27	7.27	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.46	7.46	7.46	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.83	8.83	8.83	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	8.80	8.80	8.80	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL79161

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.