GPCRdb

CHEMBL357830

Agent/drug
Bioactivity

CHEMBL357830

SMILES	NCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12
InChIKey	SQMSKBYHTUAWDC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	4
Rotatable bonds	11
Molecular weight (Da)	600.3

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	8.40	8.40	8.40	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	9.66	9.66	9.66	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	9.57	9.57	9.57	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	9.59	9.59	9.59	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL357830

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.