GproteinDb

compound 16 [PMID: 31498617]

Agent/drug
Bioactivity

compound 16 [PMID: 31498617]

SMILES	COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1
InChIKey	BWEJNHRMGZUMNU-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	435.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	8DWH 8HJ5

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	5.61	5.61	5.61	Guide to Pharmacology
κ	OPRK	Human	Opioid	A	pKi	4.92	4.92	4.92	Guide to Pharmacology
μ	OPRM	Human	Opioid	A	pKi	5.43	5.43	5.43	Guide to Pharmacology

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MRGPRX1	MRGX1	Human	A orphans	A	pEC50	7.30	7.30	7.30	Guide to Pharmacology
MRGPRX1	MRGX1	Human	A orphans	A	pEC50	7.30	7.30	7.30	ChEMBL

Showing 1 to 2 of 2 entries

compound 16 [PMID: 31498617]

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
Structure pdb	8DWH 8HJ5

Compound is not listed as a drug.