Compound Detail
CHEMBL120082
BIS(DIBENZYLAMINETHIOCARBONYL)DISULFIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL120082 |
| Name | BIS(DIBENZYLAMINETHIOCARBONYL)DISULFIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WITDFSFZHZYQHB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
544.8
MW (Da)
8.34
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 5.95 | 320.0 | 3 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.02 | 5.02 | 9549.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Metallo-beta-lactamase NDM-1 (unknown origin) expressed in Escheri... | 32707526 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of metallo-beta-lactamase IMP-1 (unknown origin) expressed in Escheri... | 32707526 |
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of metallo-beta-lactamase ImiS (unknown origin) expressed in Escheric... | 32707526 |
| Monoglyceride lipase | IC50 | = | 9549.93 | nM | 5.02 | Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid ... | 19883085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32707526 | 10.1016/j.ejmech.2020.112573 | Unchecked | 3 |
| 8809151 | 10.1021/jm960375o | Human immunodeficiency virus 1 | 2 |
| 19883085 | 10.1021/jm901323s | Monoglyceride lipase | 2 |
| 19883085 | 10.1021/jm901323s | Fatty-acid amide hydrolase 1 | 1 |
| 33744437 | 10.1016/j.bmcl.2021.127958 | Aldehyde dehydrogenase 1A1 | 1 |
| 33744437 | 10.1016/j.bmcl.2021.127958 | Aldehyde dehydrogenase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine