GPCRdb

CHEMBL4098119

Agent/drug
Bioactivity

CHEMBL4098119

SMILES	Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)nc2-n2nccn2)C1
InChIKey	KBPPQZHPJZSYAJ-CZUORRHYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	4
Molecular weight (Da)	481.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OX₁	OX1R	Human	Orexin	A	pKi	5.78	5.78	5.78	ChEMBL
OX₂	OX2R	Human	Orexin	A	pKi	8.29	8.29	8.29	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OX₂	OX2R	Human	Orexin	A	pIC50	7.54	7.54	7.54	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4098119

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.