Compound Detail
CHEMBL1269809
BENZOPHENONE-THIOSEMICARBAZONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1269809 |
| Name | BENZOPHENONE-THIOSEMICARBAZONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIDYVRMUWBNYCT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.27
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.17 | 4.17 | 68340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 3 da... | 21601449 |
| Trypanosoma brucei brucei | IC50 | = | 68340.0 | nM | 4.17 | Trypanocidal activity against Trypanosoma brucei brucei 427 bloodstream form ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21601449 | 10.1016/j.bmcl.2011.04.146 | B16 | 2 |
| 20933415 | 10.1016/j.bmcl.2010.09.026 | Procathepsin L | 1 |
| 20933415 | 10.1016/j.bmcl.2010.09.026 | Cathepsin B | 1 |
| - | 10.1007/s00044-012-0208-6 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine