Compound Detail
CHEMBL191350
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Basic Information
| ChEMBL ID | CHEMBL191350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFMNVNNBXZALQQ-IHWYPQMZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
3.99
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.35 | 5.35 | 4500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin beta-1 chain | IC50 | = | 4500.0 | nM | 5.35 | Concentration required for 50% inhibition of tubulin polymerization | 15658859 |
| Unchecked | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of calf brain tubulin polymerization | 18710804 |
| Unchecked | IC50 | = | 4500.0 | nM | 5.35 | Displacement of [3H]colchicine from tubulin | 20395019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658859 | 10.1021/jm049444m | Tubulin beta-1 chain | 1 |
| 18710804 | 10.1016/j.bmcl.2008.07.070 | DU-145 | 1 |
| 18710804 | 10.1016/j.bmcl.2008.07.070 | NCI-H460 | 1 |
| 18710804 | 10.1016/j.bmcl.2008.07.070 | Unchecked | 1 |
| 20395019 | 10.1016/j.ejmech.2010.03.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine