GproteinDb

MS48107

Agent/drug
Bioactivity

MS48107

SMILES	Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2c(F)cccc2CO)n1
InChIKey	KKHDNAZPEMYUNO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	7
Molecular weight (Da)	417.2

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

5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.50	6.56	6.66	ChEMBL
MT₁	MTR1A	Human	Melatonin	A	pKd	5.23	5.23	5.23	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKd	5.96	5.96	5.96	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

GPR68	OGR1	Human	A orphans	A	pKB	5.85	5.85	5.85	Guide to Pharmacology
MT₁	MTR1A	Human	Melatonin	A	pEC50	6.50	6.50	6.50	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	6.27	6.27	6.27	ChEMBL

Showing 1 to 3 of 3 entries

MS48107

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Compound is not listed as a drug.