Compound Detail
CHEMBL3099859
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Basic Information
| ChEMBL ID | CHEMBL3099859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUHOJQJRPZQKGZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.73
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.21 | 5.2 | 6100.0 | 2 |
| HeLa CHEMBL399 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6100.0 | nM | 5.21 | Cytotoxicity against human CEM/0 cells assessed as growth inhibition after 48 hr... | 24164557 |
| HeLa | IC50 | = | 6300.0 | nM | 5.2 | Cytotoxicity against human HeLa cells assessed as growth inhibition after 48 hrs... | 24164557 |
| NON-PROTEIN TARGET | IC50 | = | 6500.0 | nM | 5.19 | Cytotoxicity against human Molt4/C8 cells assessed as growth inhibition after 48... | 24164557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24164557 | 10.1021/jm4013938 | NON-PROTEIN TARGET | 3 |
| 24164557 | 10.1021/jm4013938 | HeLa | 1 |
| 24164557 | 10.1021/jm4013938 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine