Compound Detail
CHEMBL130179
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Basic Information
| ChEMBL ID | CHEMBL130179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNJGHLBFPLFJBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.83
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 780.0 | nM | 6.11 | Concentration inhibiting tubulin polymerization (ITP) | 10514278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514278 | 10.1021/jm990208z | Tubulin | 2 |
| 10514278 | 10.1021/jm990208z | KB | 1 |
| 10514278 | 10.1021/jm990208z | A549 | 1 |
| 10514278 | 10.1021/jm990208z | CAKI-1 | 1 |
| 10514278 | 10.1021/jm990208z | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine