GPCRdb

CHEMBL78874

Agent/drug
Bioactivity

CHEMBL78874

SMILES	CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1
InChIKey	WWXDGSCJMHTQQR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	9
Molecular weight (Da)	475.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	9.72	9.72	9.72	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.84	8.84	8.84	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	9.60	9.60	9.60	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.39	6.39	6.39	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	8.60	8.60	8.60	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL78874

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.