Compound Detail
CHEMBL388025
CINNAMALDEHYDE THIOSEMICARBAZONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL388025 |
| Name | CINNAMALDEHYDE THIOSEMICARBAZONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHUQFXIRXYXNOZ-JHLWKMQHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
1.52
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.12 | 4.12 | 76280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 650.0 | nM | 6.19 | Inhibition of pieris rapae Phenoloxidase | 17258462 |
| Tyrosinase | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of mushroom tyrosinase | 18524420 |
| Trypanosoma brucei brucei | IC50 | = | 76280.0 | nM | 4.12 | Trypanocidal activity against Trypanosoma brucei brucei 427 bloodstream form ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 18524420 | 10.1016/j.ejmech.2008.04.002 | Tyrosinase | 1 |
| - | 10.1007/s00044-012-0208-6 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine