Compound Detail
CHEMBL427472
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Basic Information
| ChEMBL ID | CHEMBL427472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHFPQOLAHRTDAC-CQSZACIVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.44
ALogP
6
HBA
1
HBD
65.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 6.12 | 5.665 | 750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 750.0 | nM | 6.12 | Inhibition of tubulin polymerization (unknown origin) incubated for 20 mins | 32432867 |
| Tubulin | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of Tubulin polymerization after 20 minutes of administration at 30 de... | 9083485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083485 | 10.1021/jm960663k | Tubulin alpha chain | 2 |
| 9083485 | 10.1021/jm960663k | Tubulin | 1 |
| 9083485 | 10.1021/jm960663k | CA46 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine