Compound Detail
CHEMBL51928
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Basic Information
| ChEMBL ID | CHEMBL51928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFJQIXFUZDUCHX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.04
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.28 | 6.28 | 524.8 | 1 |
| OVCAR-3 CHEMBL614213 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 524.81 | nM | 6.28 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin | IC50 | = | 530.0 | nM | 6.28 | Inhibition of tubulin polymerization | 9301667 |
| OVCAR-3 | IC50 | = | 530.0 | nM | 6.28 | Antitumor activity against human OVCAR-3 cells xenografted in mouse assessed as ... | 20187635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301667 | 10.1021/jm970146h | Tubulin | 2 |
| 14987069 | 10.1021/np030373o | NON-PROTEIN TARGET | 2 |
| 9301667 | 10.1021/jm970146h | Tumor Cell line | 2 |
| 9301667 | 10.1021/jm970146h | PC-3 | 1 |
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 20187635 | 10.1021/np900821e | Unchecked | 1 |
| 9301667 | 10.1021/jm970146h | Melanoma tumor cell line | 1 |
| 9301667 | 10.1021/jm970146h | Panel CNS (Carcinoma cell lines) | 1 |
| 9301667 | 10.1021/jm970146h | Panel colon (Carcinoma cell lines) | 1 |
| 9301667 | 10.1021/jm970146h | NSCLC | 1 |
| 9301667 | 10.1021/jm970146h | Leukemic tumor cell line | 1 |
| 9301667 | 10.1021/jm970146h | MDA-N | 1 |
| 9301667 | 10.1021/jm970146h | MDA-MB-435 | 1 |
| 9301667 | 10.1021/jm970146h | CAKI-1 | 1 |
| 9301667 | 10.1021/jm970146h | OVCAR-3 | 1 |
| 9301667 | 10.1021/jm970146h | SK-MEL-5 | 1 |
| 9301667 | 10.1021/jm970146h | U-251 | 1 |
| 9301667 | 10.1021/jm970146h | SF-295 | 1 |
| 9301667 | 10.1021/jm970146h | HCT-116 | 1 |
| 9301667 | 10.1021/jm970146h | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine