Compound Detail
CHEMBL117655
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Basic Information
| ChEMBL ID | CHEMBL117655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYDFCEWVJXEPAU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.7
MW (Da)
6.63
ALogP
6
HBA
3
HBD
74.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.32 | 4.32 | 48200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory activity against Trypanosoma cruzi | 11585449 |
| Trypanosoma brucei rhodesiense | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory activity against T.b. rhodesiense | 11585449 |
| Rattus norvegicus | IC50 | = | 48200.0 | nM | 4.32 | Inhibitory activity against L-6 rat myoblast cells | 11585449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585449 | 10.1021/jm010854+ | Trypanosoma brucei rhodesiense | 1 |
| 11585449 | 10.1021/jm010854+ | ADMET | 1 |
| 11585449 | 10.1021/jm010854+ | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine