JMS-17-2


SMILES Clc1ccc(cc1)C1CCN(CC1)CCCn1c(=O)c2cccn2c2c1cccc2
InChIKey WOSMCMULWWHMIV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 419.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CX3CR1 CX3C1 Human Chemokine A pIC50 9.49 9.49 9.49 Guide to Pharmacology
CX3CR1 CX3C1 Human Chemokine A pIC50 5.41 5.41 5.41 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.79 6.79 6.79 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.33 5.33 5.33 ChEMBL