GPCRdb

ACT-335827

Agent/drug
Bioactivity

ACT-335827

SMILES	COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC
InChIKey	HXHOBPVRRPCTLG-SETSBSEESA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	10
Molecular weight (Da)	518.3

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OX₁	OX1R	Human	Orexin	A	pKi	8.22	8.22	8.22	ChEMBL
OX₂	OX2R	Human	Orexin	A	pKi	6.38	6.38	6.38	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OX₁	OX1R	Human	Orexin	A	pKB	7.40	7.40	7.40	Guide to Pharmacology
OX₁	OX1R	Human	Orexin	A	pIC50	8.22	8.22	8.22	ChEMBL
OX₂	OX2R	Human	Orexin	A	pKB	6.30	6.30	6.30	Guide to Pharmacology
OX₂	OX2R	Human	Orexin	A	pIC50	6.38	6.38	6.38	ChEMBL

Showing 1 to 4 of 4 entries

ACT-335827

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

Compound is not listed as a drug.