1-NAPHTHYLISOTHIOCYANATE


SMILES S=C=Nc1cccc2ccccc12
InChIKey JBDOSUUXMYMWQH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Molecular weight (Da) 185.0

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
α2C ADA2C Human Adrenoceptors A pKi 5.1 5.1 5.1 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 5.59 5.59 5.59 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.63 5.63 5.63 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.86 4.86 4.86 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 4.8 4.8 4.8 ChEMBL
A3 AA3R Human Adenosine A pKi 5.46 5.46 5.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pIC50 4.26 4.26 4.26 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 5.17 5.17 5.17 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.2 5.2 5.2 ChEMBL
D1 DRD1 Human Dopamine A pIC50 4.56 4.56 4.56 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 4.6 4.6 4.6 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.21 5.21 5.21 ChEMBL