Compound Detail
CHEMBL49016
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Basic Information
| ChEMBL ID | CHEMBL49016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDLJOBRGZSEPQS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.62
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.82 | 5.82 | 1513.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 1513.56 | nM | 5.82 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of tubulin polymerization | 9301667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 9301667 | 10.1021/jm970146h | Tubulin | 1 |
| 9301667 | 10.1021/jm970146h | Tumor Cell line | 1 |
| 9301667 | 10.1021/jm970146h | HL-60 | 1 |
| 9301667 | 10.1021/jm970146h | NCI-H460 | 1 |
| 9301667 | 10.1021/jm970146h | HCT-116 | 1 |
| 9301667 | 10.1021/jm970146h | SF-295 | 1 |
| 9301667 | 10.1021/jm970146h | U-251 | 1 |
| 9301667 | 10.1021/jm970146h | SK-MEL-5 | 1 |
| 9301667 | 10.1021/jm970146h | OVCAR-3 | 1 |
| 9301667 | 10.1021/jm970146h | CAKI-1 | 1 |
| 9301667 | 10.1021/jm970146h | PC-3 | 1 |
| 9301667 | 10.1021/jm970146h | MDA-MB-435 | 1 |
| 9301667 | 10.1021/jm970146h | MDA-N | 1 |
Data from ChEMBL 36 via Core Engine