Compound Detail
CHEMBL508112
BENZOTHIAZYL DISULFIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL508112 |
| Name | BENZOTHIAZYL DISULFIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFZSMODLJJCVPP-UHFFFAOYSA-N |
18
Targets
38
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
5.71
ALogP
6
HBA
0
HBD
25.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 23 meas. best 7.01
Ki 15 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 7.13 | 7.13 | 74.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.01 | 5.2883 | 98.0 | 6 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.71 | 6.71 | 196.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.71 | 6.71 | 194.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.62 | 6.62 | 241.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.61 | 6.61 | 245.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.54 | 6.54 | 289.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.47 | 6.47 | 337.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 6.46 | 6.46 | 347.0 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial CHEMBL4766 | IC50 | 6.42 | 6.42 | 379.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.37 | 6.37 | 427.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.3 | 6.3 | 497.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.22 | 6.22 | 595.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.13 | 6.13 | 747.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.07 | 6.07 | 851.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.05 | 6.05 | 899.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 6.03 | 6.03 | 929.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.92 | 5.92 | 1189.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.91 | 5.91 | 1243.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.9 | 5.9 | 1264.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.78 | 5.78 | 1658.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.71 | 5.71 | 1955.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 5.62 | 5.62 | 2405.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.61 | 5.61 | 2450.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.51 | 5.51 | 3113.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.28 | 5.28 | 5276.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.23 | 5.23 | 5866.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine