Compound Detail
CHEMBL2262117
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Basic Information
| ChEMBL ID | CHEMBL2262117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIQVOGGFHZSARK-GQCTYLIASA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.1
MW (Da)
4.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.71
Kd 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin alpha 4a CHEMBL2366421 | Kd | 5.43 | 5.43 | 3700.0 | 1 |
| Tubulin alpha 4a CHEMBL2366421 | IC50 | 4.71 | 4.71 | 19590.0 | 2 |
| K562 CHEMBL385 | IC50 | 4.39 | 4.39 | 41100.0 | 1 |
| SK-N-MC CHEMBL614163 | IC50 | 4.32 | 4.32 | 47800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha 4a | Kd | = | 3700.0 | nM | 5.43 | Binding affinity to Ovis aries (sheep) brain tubulin assessed as intrinsic trypt... | - |
| Tubulin alpha 4a | IC50 | = | 19590.0 | nM | 4.71 | Inhibition of Ovis aries (sheep) brain tubulin polymerization assessed as microt... | - |
| Tubulin alpha 4a | IC50 | = | 19600.0 | nM | 4.71 | Inhibition of Ovis aries (sheep) brain tubulin polymerization assessed as microt... | - |
| K562 | IC50 | = | 41100.0 | nM | 4.39 | Cytotoxicity against Homo sapiens (human) K562 cells after 72 hr by MTT assay | - |
| SK-N-MC | IC50 | = | 47800.0 | nM | 4.32 | Cytotoxicity against Homo sapiens (human) SK-N-MC cells after 72 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9344-z | Tubulin alpha 4a | 10 |
| - | 10.1007/s00044-010-9344-z | SK-N-MC | 1 |
| - | 10.1007/s00044-010-9344-z | K562 | 1 |
Data from ChEMBL 36 via Core Engine