Compound Detail
CHEMBL42811
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Basic Information
| ChEMBL ID | CHEMBL42811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYHDOJMVRXYRGL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.6
MW (Da)
4.28
ALogP
4
HBA
3
HBD
69.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Crithidia fasciculata CHEMBL612650 | IC50 | 4.92 | 4.845 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Crithidia fasciculata | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of dihydrosterculate synthesis in Crithidia fasciculata. | 3398003 |
| Crithidia fasciculata | IC50 | = | 17000.0 | nM | 4.77 | The compound was tested for 50% growth inhibition against Crithidia fasciculata | 3398003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3398003 | 10.1021/jm00403a029 | Crithidia fasciculata | 2 |
Data from ChEMBL 36 via Core Engine