GPCRdb

CHEMBL144030

Agent/drug
Bioactivity

CHEMBL144030

SMILES	NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChIKey	IFTLFEAARDEHJJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	10
Molecular weight (Da)	454.2

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	8.80	8.80	8.80	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.80	8.80	8.80	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	10.00	10.00	10.00	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	10.00	10.00	10.00	PDSP Ki database
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	9.96	9.96	9.96	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	9.96	9.96	9.96	PDSP Ki database

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pEC50	8.52	8.52	8.52	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL144030

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.