GPCRdb

BRL-54443

Agent/drug
Bioactivity

BRL-54443

SMILES	CN1CCC(c2c[nH]c3ccc(O)cc23)CC1
InChIKey	WKNFADCGOAHBPG-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	2
Rotatable bonds	1
Molecular weight (Da)	230.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	7E33
Ligand site mutations	5-HT_1A 5-HT_1E

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	8.70	8.70	8.70	Guide to Pharmacology
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	8.90	8.90	8.90	Guide to Pharmacology

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	Potency	4.75	4.78	4.80	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	4.70	4.70	4.70	ChEMBL

Showing 1 to 2 of 2 entries

BRL-54443

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

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	7E33
Ligand site mutations	5-HT_1A 5-HT_1E

Compound is not listed as a drug.