Compound Detail
CHEMBL75198
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Basic Information
| ChEMBL ID | CHEMBL75198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDFATVWIYLVDKH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
0.78
ALogP
6
HBA
1
HBD
94.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| V79 CHEMBL614074 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| V79 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory concentration required to kill 50% of the cells was evaluated under a... | 7966141 |
| V79 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory concentration required to kill 50% of the cells was evaluated under a... | 7966141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966141 | 10.1021/jm00048a019 | V79 | 3 |
| 9240349 | 10.1021/jm9608422 | V79 | 3 |
| 7966141 | 10.1021/jm00048a019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine