Compound Detail
CHEMBL432686
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Basic Information
| ChEMBL ID | CHEMBL432686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBDPZSXKPMQKKY-MMHJJHTGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
6.58
ALogP
5
HBA
1
HBD
47.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.92 | 5.1267 | 1200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of [3H]colchicine binding to bovine brain tubulin incubated in presen... | - |
| Tubulin | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of [3H]colchicine binding to bovine brain tubulin incubated at 37 deg... | - |
| Tubulin | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of [3H]colchicine binding to bovine brain tubulin incubated at 30 deg... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960501 | 10.1021/jm0105171 | A2780 | 2 |
| 11960501 | 10.1021/jm0105171 | MCF7 | 1 |
| 11960501 | 10.1021/jm0105171 | PC-3 | 1 |
| 11960501 | 10.1021/jm0105171 | 2008 | 1 |
Data from ChEMBL 36 via Core Engine