Compound Detail
CHEMBL114849
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Basic Information
| ChEMBL ID | CHEMBL114849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXOPCLABJYZIEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
5.11
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 720.0 | nM | 6.14 | Inhibition of bovine tubulin polymerization | 7932568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932568 | 10.1021/jm00046a025 | Tubulin | 2 |
Data from ChEMBL 36 via Core Engine