Compound Detail
CHEMBL145740
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Basic Information
| ChEMBL ID | CHEMBL145740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFGFYLMUCXJTQE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.78
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin alpha chain CHEMBL3658 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | Ki | = | 2500.0 | nM | 5.6 | Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine... | - |
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Concentration was evaluated for its ability to inhibit microtubule assembly and ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81108-2 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)81108-2 | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine