GPCRdb

CHEMBL144397

Agent/drug
Bioactivity

CHEMBL144397

SMILES	NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
InChIKey	WKSNOTTUESOCSY-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	6
Rotatable bonds	14
Molecular weight (Da)	506.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.07	8.07	8.07	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	9.52	9.52	9.52	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	9.52	9.52	9.52	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pEC50	10.05	10.05	10.05	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL144397

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.