Compound Detail
CHEMBL96787
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Basic Information
| ChEMBL ID | CHEMBL96787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYJVHGLWQODEIK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.94
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 5.72 | 5.2 | 1900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of cell growth after irradiation at UVA dose of 6.5 J/cmE-2 in HT1080... | 12873520 |
| HT-1080 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of cell growth after irradiation at UVA dose of 3.2 J/cmE-2 in HT1080... | 12873520 |
| HT-1080 | IC50 | = | 14700.0 | nM | 4.83 | Inhibition of cell growth after irradiation at UVA dose of 2.6 J/cmE-2 in HT1080... | 12873520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873520 | 10.1016/s0960-894x(03)00529-8 | HT-1080 | 3 |
Data from ChEMBL 36 via Core Engine