GPCRdb

CHEMBL4212246

Agent/drug
Bioactivity

CHEMBL4212246

SMILES	CCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1
InChIKey	VJHCELMTVAQBMD-FZMZJTMJSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	279.1

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_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.01	5.01	5.01	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.66	5.66	5.66	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	5.12	5.12	5.12	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.50	5.50	5.50	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pEC50	7.54	7.54	7.54	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pIC50	5.68	5.68	5.68	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4212246

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.