GPCRdb

CHEMBL9841

Agent/drug
Bioactivity

CHEMBL9841

SMILES	Clc1ccccc1N1CCNCC1
InChIKey	PWZDJIUQHUGFRJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	1
Molecular weight (Da)	196.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	6.15	6.15	6.15	ChEMBL
α_1A	ADA1A	Bovine	Adrenoceptors	A	pKi	6.80	6.80	6.80	ChEMBL
α_2A	ADA2A	Bovine	Adrenoceptors	A	pKi	7.60	7.60	7.60	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.65	7.18	7.71	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	7.93	7.93	7.93	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pIC50	4.92	4.92	4.92	ChEMBL
β₂	ADRB2	Dog	Adrenoceptors	A	pIC50	4.80	4.80	4.80	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL9841

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.