Compound Detail
CHEMBL2103847
TOSEDOSTAT 🧪 Phase II
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🧪 Phase II
CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO
Basic Information
| ChEMBL ID | CHEMBL2103847 |
| Name | TOSEDOSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FWFGIHPGRQZWIW-SQNIBIBYSA-N |
11
Targets
15
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names
5
Indications
1
Mechanisms
Molecular Properties
406.5
MW (Da)
1.86
ALogP
6
HBA
4
HBD
125.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Aminopeptidase inhibitor | INHIBITOR | Aminopeptidase | ✓ | ✓ |
Indications
Leukemia, Myeloid, Acute Myelodysplastic Syndromes Carcinoma, Non-Small-Cell Lung Neoplasms Pancreatic Neoplasms
Activity Summary
IC50 11 meas. best 8.3
EC50 2 meas. best 5.68
Ki 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosol aminopeptidase CHEMBL3965 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Aminopeptidase N CHEMBL1907 | IC50 | 7.52 | 6.62 | 30.0 | 3 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Puromycin-sensitive aminopeptidase CHEMBL2264 | IC50 | 6.58 | 6.58 | 260.0 | 2 |
| Endoplasmic reticulum aminopeptidase 2 CHEMBL5043 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 5.93 | 5.93 | 1180.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| MOLT-4 CHEMBL614177 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.21 | 5.21 | 6150.0 | 1 |
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine