Compound Detail
CHEMBL298378
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Basic Information
| ChEMBL ID | CHEMBL298378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEHHYURJHUIQKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.32
ALogP
4
HBA
1
HBD
55.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin beta chain CHEMBL3394 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 794.33 | nM | 6.1 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin beta chain | IC50 | = | 800.0 | nM | 6.1 | Inhibition of bovine tubulin polymerization | 9216846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 9216846 | 10.1021/jm960858s | Tubulin beta chain | 1 |
| 9216846 | 10.1021/jm960858s | Tubulin alpha chain | 1 |
| 9216846 | 10.1021/jm960858s | Tumor Cell line | 1 |
| 9216846 | 10.1021/jm960858s | HL-60 | 1 |
| 9216846 | 10.1021/jm960858s | NCI-H460 | 1 |
| 9216846 | 10.1021/jm960858s | HCT-116 | 1 |
| 9216846 | 10.1021/jm960858s | SF-295 | 1 |
| 9216846 | 10.1021/jm960858s | U-251 | 1 |
| 9216846 | 10.1021/jm960858s | SK-MEL-5 | 1 |
| 9216846 | 10.1021/jm960858s | OVCAR-3 | 1 |
| 9216846 | 10.1021/jm960858s | 786-0 | 1 |
| 9216846 | 10.1021/jm960858s | PC-3 | 1 |
| 9216846 | 10.1021/jm960858s | MDA-MB-435 | 1 |
| 9216846 | 10.1021/jm960858s | MDA-N | 1 |
Data from ChEMBL 36 via Core Engine