Compound Detail
CHEMBL308075
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Basic Information
| ChEMBL ID | CHEMBL308075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSJFPRSDNPCGBF-KTKRTIGZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.19
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of tubulin polymerization | 1613753 |
| Tubulin | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613753 | 10.1021/jm00090a021 | A549 | 1 |
| 1613753 | 10.1021/jm00090a021 | MCF7 | 1 |
| 1613753 | 10.1021/jm00090a021 | HT-29 | 1 |
| 1613753 | 10.1021/jm00090a021 | SK-MEL-5 | 1 |
| 1613753 | 10.1021/jm00090a021 | MLM | 1 |
| 1613753 | 10.1021/jm00090a021 | Bos taurus | 1 |
| - | 10.1007/s00044-012-0327-0 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine