Compound Detail
CHEMBL473137
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Basic Information
| ChEMBL ID | CHEMBL473137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSVDFRYULHBWFQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.7
MW (Da)
3.14
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.5 | 4.5 | 31300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 31300.0 | nM | 4.5 | Cytotoxicity against mouse J774.G8 cells after 72 hrs by MTS assay | 19191586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191586 | 10.1021/jm8008103 | Plasmodium falciparum | 2 |
| 19191586 | 10.1021/jm8008103 | ADMET | 2 |
| 19191586 | 10.1021/jm8008103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine