Compound Detail
CHEMBL19531
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Basic Information
| ChEMBL ID | CHEMBL19531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRCKMQLZGKWNPR-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.67
ALogP
6
HBA
1
HBD
56.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 20.0 | nM | 7.7 | In vitro cytotoxicity against L1210 (murine leukemia) cells. | 2299625 |
| Tubulin beta chain | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory effect on the polymerization of purified bovine brain tubulin. | 2299625 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of tubulin assembly | 20542428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4032423 | 10.1021/jm00147a014 | Mus musculus | 4 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | Unchecked | 4 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | SK-BR-3 | 4 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | A549 | 3 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | HCT-8 | 2 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | DU-145 | 2 |
| 4032423 | 10.1021/jm00147a014 | Tubulin | 1 |
| 2299625 | 10.1021/jm00164a015 | Tubulin beta chain | 1 |
| 2299625 | 10.1021/jm00164a015 | L1210 | 1 |
| 7265111 | 10.1021/jm00135a004 | No relevant target | 1 |
| 7265111 | 10.1021/jm00135a004 | P388 | 1 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | KB | 1 |
| 20542428 | 10.1016/j.bmcl.2010.05.081 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine