DISULFIRAM


SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
InChIKey AUZONCFQVSMFAP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 296.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.67 5.67 5.67 ChEMBL
CCR4 CCR4 Human Chemokine A pKi 5.36 5.36 5.36 ChEMBL
CXCR2 CXCR2 Human Chemokine A pKi 5.38 5.38 5.38 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.83 5.83 5.83 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 6.02 6.02 6.02 ChEMBL
CCR5 CCR5 Human Chemokine A pKi 4.74 4.74 4.74 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.96 5.96 5.96 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.97 5.97 5.97 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.13 5.13 5.13 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 4.66 4.66 4.66 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.43 6.43 6.43 ChEMBL
A3 AA3R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
κ OPRK Human Opioid A pKi 5.61 5.61 5.61 ChEMBL
μ OPRM Human Opioid A pKi 5.85 5.85 5.85 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.12 5.12 5.12 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.33 8.33 8.33 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
D1 DRD1 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
D2 DRD2 Human Dopamine A pKi 8.29 8.29 8.29 Drug Central
D3 DRD3 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D4 DRD4 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
κ OPRK Human Opioid A pKi 8.25 8.25 8.25 Drug Central
μ OPRM Human Opioid A pKi 8.23 8.23 8.23 Drug Central
CCR2 CCR2 Human Chemokine A pKi 8.22 8.22 8.22 Drug Central
CCR5 CCR5 Human Chemokine A pKi 8.32 8.32 8.32 Drug Central
CXCR2 CXCR2 Human Chemokine A pKi 8.27 8.27 8.27 Drug Central
A3 AA3R Human Adenosine A pKi 8.17 8.17 8.17 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
CCR4 CCR4 Human Chemokine A pKi 8.27 8.27 8.27 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 5.33 5.33 5.33 ChEMBL
CCR4 CCR4 Human Chemokine A pIC50 5.08 5.08 5.08 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.9 4.9 4.9 ChEMBL
CXCR2 CXCR2 Human Chemokine A pIC50 5.22 5.22 5.22 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.49 5.49 5.49 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 5.18 5.18 5.18 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 5.61 5.61 5.61 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 4.63 4.63 4.63 ChEMBL
D4 DRD4 Human Dopamine A pIC50 5.5 5.5 5.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.31 5.31 5.31 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.67 5.67 5.67 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 4.8 4.8 4.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 4.46 4.46 4.46 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.96 5.96 5.96 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.45 6.45 6.45 ChEMBL
κ OPRK Human Opioid A pIC50 5.21 5.21 5.21 ChEMBL
μ OPRM Human Opioid A pIC50 5.46 5.46 5.46 ChEMBL
D2 DRD2 Human Dopamine A pIC50 4.64 4.64 4.64 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.8 5.1 ChEMBL