GPCRdb

CHEMBL421064

Agent/drug
Bioactivity

CHEMBL421064

SMILES	NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc12
InChIKey	IPCSHRNCCTZQAU-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	378.2

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	7.94	7.96	7.98	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	8.92	9.12	9.40	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	7.30	7.30	7.30	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pEC50	9.35	9.35	9.35	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL421064

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.