GPCRdb

CHEMBL3099899

Agent/drug
Bioactivity

CHEMBL3099899

SMILES	COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC
InChIKey	VDWKDBPHAPPUBO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	493.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pKi	5.69	5.69	5.69	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.88	5.88	5.88	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	5.64	5.64	5.64	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.18	6.18	6.18	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.49	5.49	5.49	ChEMBL
OX₁	OX1R	Human	Orexin	A	pKi	7.03	7.03	7.03	ChEMBL
OX₂	OX2R	Human	Orexin	A	pKi	10.15	10.15	10.15	ChEMBL

Showing 1 to 7 of 7 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pIC50	5.30	5.30	5.30	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	5.64	5.64	5.64	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	5.62	5.62	5.62	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	5.98	5.98	5.98	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	5.02	5.02	5.02	ChEMBL
OX₁	OX1R	Human	Orexin	A	pIC50	6.54	6.54	6.54	ChEMBL
OX₂	OX2R	Human	Orexin	A	pIC50	7.92	7.92	7.92	ChEMBL

Showing 1 to 7 of 7 entries

CHEMBL3099899

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.