Compound Detail
CHEMBL328335
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Basic Information
| ChEMBL ID | CHEMBL328335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYRBHWKYPUTGHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.03
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 16400.0 | nM | 4.79 | Inhibition of cell growth after irradiation at UVA dose of 6.5 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