Compound Detail
CHEMBL277998
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Basic Information
| ChEMBL ID | CHEMBL277998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKYOHQGXPPVIGD-HNNXBMFYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.28
ALogP
6
HBA
2
HBD
84.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 30.0 | nM | 7.52 | In vitro cytotoxicity against L1210 (murine leukemia) cells. | 2299625 |
| Tubulin alpha chain | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin beta chain | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory effect on the polymerization of purified bovine brain tubulin. | 2299625 |
| Tubulin | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibition of mammalian tubulin polymerization by 50% | 9599244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4032423 | 10.1021/jm00147a014 | Mus musculus | 4 |
| 4032423 | 10.1021/jm00147a014 | Unchecked | 3 |
| 3560165 | 10.1021/jm00387a028 | Tubulin beta chain | 1 |
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 4032423 | 10.1021/jm00147a014 | Tubulin | 1 |
| 4032423 | 10.1021/jm00147a014 | P388 | 1 |
| 4032423 | 10.1021/jm00147a014 | L1210 | 1 |
| 2299625 | 10.1021/jm00164a015 | Tubulin beta chain | 1 |
| 2299625 | 10.1021/jm00164a015 | L1210 | 1 |
| 2299625 | 10.1021/jm00164a015 | Mus musculus | 1 |
| 9599244 | 10.1021/jm980007f | DNA topoisomerase II | 1 |
| 9599244 | 10.1021/jm980007f | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine