Compound Detail
CHEMBL16116
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Basic Information
| ChEMBL ID | CHEMBL16116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIXRKOHTDRHQQN-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
3.16
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.63 | 5.63 | 2344.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of bovine brain tubulin polymerization (ITP). | 9544215 |
| Tubulin alpha chain | IC50 | = | 2344.23 | nM | 5.63 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 9544215 | 10.1021/jm9707479 | KB | 1 |
| 9544215 | 10.1021/jm9707479 | A549 | 1 |
| 9544215 | 10.1021/jm9707479 | HCT-8 | 1 |
| 9544215 | 10.1021/jm9707479 | CAKI-1 | 1 |
| 9544215 | 10.1021/jm9707479 | MCF7 | 1 |
| 9544215 | 10.1021/jm9707479 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine