Compound Detail
CHEMBL413154
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Basic Information
| ChEMBL ID | CHEMBL413154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWFGGFNHNIBFPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.75
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 1390.0 | nM | 5.86 | Concentration which produces 50% inhibition of growth of murine melanoma B16 cel... | 11714613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11714613 | 10.1016/s0960-894x(01)00622-9 | B16 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | HCT-116 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | MCF7 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | A549 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine