Compound Detail
CHEMBL346889
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Basic Information
| ChEMBL ID | CHEMBL346889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKNIMDOWHHFBHQ-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.05
ALogP
7
HBA
0
HBD
71.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of tubulin polymerization with preincubation for 15 minutes at 37 deg... | 8496935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496935 | 10.1021/jm00057a004 | Tubulin | 2 |
| 8496935 | 10.1021/jm00057a004 | KB | 1 |
| 8496935 | 10.1021/jm00057a004 | A549 | 1 |
| 8496935 | 10.1021/jm00057a004 | HCT-8 | 1 |
| 8496935 | 10.1021/jm00057a004 | P388 | 1 |
| 8496935 | 10.1021/jm00057a004 | RPMI-7951 | 1 |
| 8496935 | 10.1021/jm00057a004 | TE-671 | 1 |
| 8496935 | 10.1021/jm00057a004 | Tubulin beta chain | 1 |
Data from ChEMBL 36 via Core Engine