Compound Detail
CHEMBL423439
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Basic Information
| ChEMBL ID | CHEMBL423439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSVLWJYTWYQJQF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.07
ALogP
8
HBA
1
HBD
106.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | Rattus norvegicus |
| T1/2 | 0.56 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 2.7 | nM | 8.57 | Concentration required to inhibit proliferation of Human lung carcinoma NCI-H460... | 11294380 |
| HCT-15 | IC50 | = | 4.1 | nM | 8.39 | Concentration required to inhibit proliferation of multidrug resistant Human col... | 11294380 |
| Tubulin alpha chain | IC50 | = | 6700.0 | nM | 5.17 | Concentration required to inhibit polymerization of tubulin | 11294380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294380 | 10.1016/s0960-894x(01)00098-1 | Rattus norvegicus | 2 |
| 11294380 | 10.1016/s0960-894x(01)00098-1 | HCT-15 | 1 |
| 11294380 | 10.1016/s0960-894x(01)00098-1 | NCI-H460 | 1 |
| 11294380 | 10.1016/s0960-894x(01)00098-1 | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine