Compound Detail
CHEMBL276340
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Basic Information
| ChEMBL ID | CHEMBL276340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NINMRZJWLHKQKT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.62
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin beta chain CHEMBL3394 | IC50 | 5.85 | 5.85 | 1400.0 | 2 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.85 | 5.85 | 1412.5 | 1 |
| Tubulin CHEMBL2094134 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 1412.54 | nM | 5.85 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin beta chain | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of tubulin polymerization | 8164254 |
| Tubulin beta chain | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of bovine tubulin polymerization | 9216846 |
| Tubulin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of bovine brain tubulin polymerization (ITP). | 9544215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216846 | 10.1021/jm960858s | Tubulin beta chain | 1 |
| 9544215 | 10.1021/jm9707479 | Tubulin | 1 |
| 9216846 | 10.1021/jm960858s | 786-0 | 1 |
| 9216846 | 10.1021/jm960858s | OVCAR-3 | 1 |
| 9216846 | 10.1021/jm960858s | U-251 | 1 |
| 9216846 | 10.1021/jm960858s | SF-295 | 1 |
| 9216846 | 10.1021/jm960858s | HCT-116 | 1 |
| 9216846 | 10.1021/jm960858s | NCI-H460 | 1 |
| 9216846 | 10.1021/jm960858s | HL-60 | 1 |
| 9216846 | 10.1021/jm960858s | Tumor Cell line | 1 |
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 8164254 | 10.1021/jm00034a010 | SF-295 | 1 |
| 8164254 | 10.1021/jm00034a010 | SF-268 | 1 |
| 8164254 | 10.1021/jm00034a010 | RXF 393 | 1 |
| 8164254 | 10.1021/jm00034a010 | OVCAR-3 | 1 |
| 8164254 | 10.1021/jm00034a010 | KM-20L2 | 1 |
| 8164254 | 10.1021/jm00034a010 | HCT-116 | 1 |
| 8164254 | 10.1021/jm00034a010 | DMS-114 | 1 |
| 8164254 | 10.1021/jm00034a010 | NCI-H226 | 1 |
| 8164254 | 10.1021/jm00034a010 | Tubulin beta chain | 1 |
Data from ChEMBL 36 via Core Engine