GPCRdb

CHEMBL1084429

Agent/drug
Bioactivity

CHEMBL1084429

SMILES	O=C(NC1CCCCC1)N1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2Cl)CC1
InChIKey	KTCTVGKANNGXFB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	513.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₁	CNR1	Human	Cannabinoid	A	pKi	8.92	8.92	8.92	ChEMBL
CB₁	CNR1	Human	Cannabinoid	A	pKi	8.92	8.92	8.92	PDSP Ki database
CB₂	CNR2	Human	Cannabinoid	A	pKi	6.56	6.56	6.56	ChEMBL
CB₂	CNR2	Human	Cannabinoid	A	pKi	6.56	6.56	6.56	PDSP Ki database

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₁	CNR1	Human	Cannabinoid	A	pIC50	7.24	7.24	7.24	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1084429

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.