Compound Detail
CHEMBL354644
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Basic Information
| ChEMBL ID | CHEMBL354644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVSVZPYLWLJRDY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.49
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-15 CHEMBL612263 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-15 | IC50 | = | 56.0 | nM | 7.25 | Concentration required to inhibit proliferation of multidrug resistant Human col... | 11294380 |
| NCI-H460 | IC50 | = | 140.0 | nM | 6.85 | Concentration required to inhibit proliferation of Human lung carcinoma NCI-H460... | 11294380 |
| Tubulin alpha chain | IC50 | = | 8200.0 | nM | 5.09 | Concentration required to inhibit polymerization of tubulin | 11294380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294380 | 10.1016/s0960-894x(01)00098-1 | Tubulin alpha chain | 3 |
| 11294380 | 10.1016/s0960-894x(01)00098-1 | HCT-15 | 1 |
| 11294380 | 10.1016/s0960-894x(01)00098-1 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine