Compound Detail
CHEMBL15778
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Basic Information
| ChEMBL ID | CHEMBL15778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVMDHCGKOFHSHB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.22
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 6.5 | 6.37 | 320.0 | 4 |
| Tubulin CHEMBL2095182 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.36 | 6.36 | 436.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 320.0 | nM | 6.5 | Inhibition of bovine tubulin polymerization | 11087572 |
| Tubulin alpha chain | IC50 | = | 436.52 | nM | 6.36 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin | IC50 | = | 440.0 | nM | 6.36 | Inhibitory concentration required against tubulin polymerization in the antimicr... | 11354375 |
| Tubulin | IC50 | = | 440.0 | nM | 6.36 | Inhibition of bovine tubulin polymerization | 7932568 |
| Tubulin | IC50 | = | 490.0 | nM | 6.31 | Concentration inhibiting tubulin polymerization (ITP) | 10514278 |
| Tubulin | IC50 | = | 490.0 | nM | 6.31 | Inhibition of bovine brain tubulin polymerization (ITP). | 9544215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544215 | 10.1021/jm9707479 | Tubulin | 3 |
| 10514278 | 10.1021/jm990208z | Tubulin | 2 |
| 11087572 | 10.1021/jm000151c | Tubulin | 2 |
| 7932568 | 10.1021/jm00046a025 | Tubulin | 2 |
| 23260351 | 10.1016/j.bmcl.2012.11.105 | NON-PROTEIN TARGET | 1 |
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 7932568 | 10.1021/jm00046a025 | OVCAR-4 | 1 |
| 7932568 | 10.1021/jm00046a025 | OVCAR-3 | 1 |
| 7932568 | 10.1021/jm00046a025 | SK-MEL-5 | 1 |
| 7932568 | 10.1021/jm00046a025 | SF-295 | 1 |
| 7932568 | 10.1021/jm00046a025 | SF-268 | 1 |
| 7932568 | 10.1021/jm00046a025 | KM-20L2 | 1 |
| 7932568 | 10.1021/jm00046a025 | HCT-116 | 1 |
| 7932568 | 10.1021/jm00046a025 | NCI-H226 | 1 |
| 7932568 | 10.1021/jm00046a025 | K562 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | Tubulin alpha chain | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | Tumor cell line | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | Tubulin | 1 |
| 8642556 | 10.1021/jm960008c | KB | 1 |
| 8642556 | 10.1021/jm960008c | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine