BENZOTHIAZYL DISULFIDE


SMILES c1ccc2sc(SSc3nc4ccccc4s3)nc2c1
InChIKey AFZSMODLJJCVPP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 332.0

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
MC5 MC5R Human Melanocortin A pKi 5.43 5.43 5.43 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.13 7.13 7.13 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 6.03 6.03 6.03 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.37 6.37 6.37 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.47 6.47 6.47 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.22 6.22 6.22 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.61 5.61 5.61 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.54 6.54 6.54 ChEMBL
A3 AA3R Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
κ OPRK Human Opioid A pKi 6.3 6.3 6.3 ChEMBL
μ OPRM Human Opioid A pKi 5.9 5.9 5.9 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.71 5.71 5.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pIC50 5.41 5.41 5.41 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.79 6.79 6.79 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.78 5.78 5.78 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 5.62 5.62 5.62 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.13 6.13 6.13 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.05 6.05 6.05 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.92 5.92 5.92 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.28 5.28 5.28 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.07 6.07 6.07 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.46 6.46 6.46 ChEMBL
κ OPRK Human Opioid A pIC50 5.91 5.91 5.91 ChEMBL
μ OPRM Human Opioid A pIC50 5.51 5.51 5.51 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.23 5.23 5.23 ChEMBL