Compound Detail
CHEMBL98624
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Basic Information
| ChEMBL ID | CHEMBL98624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZANBGVSCMZGOQG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.54
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 5.75 | 5.285 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of cell growth after irradiation at UVA dose of 6.5 J/cmE-2 in HT1080... | 12873520 |
| HT-1080 | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of cell growth after irradiation at UVA dose of 3.2 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