Compound Detail
CHEMBL118210
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Basic Information
| ChEMBL ID | CHEMBL118210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTDJZMISNHTPTM-CCEZHUSRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.44
ALogP
3
HBA
4
HBD
84.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| Rhodesain CHEMBL4188 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 13200.0 | nM | 4.88 | Inhibitory activity against Falcipain-2 | 14505663 |
| Rhodesain | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against Trypanosoma brucei rhodesiense cysteine protease rho... | 14505663 |
| Cruzipain | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain | 14505663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505663 | 10.1016/s0960-894x(03)00756-x | Cruzipain | 1 |
| 14505663 | 10.1016/s0960-894x(03)00756-x | Falcipain 2 | 1 |
| 14505663 | 10.1016/s0960-894x(03)00756-x | Rhodesain | 1 |
Data from ChEMBL 36 via Core Engine