Compound Detail
CHEMBL191349
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Basic Information
| ChEMBL ID | CHEMBL191349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNHUQBCJJSUZLR-SREVYHEPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
4.19
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | EC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against human K562 cells | - |
| Tubulin beta-1 chain | IC50 | = | 3100.0 | nM | 5.51 | Concentration required for 50% inhibition of tubulin polymerization | 15658859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658859 | 10.1021/jm049444m | Tubulin beta-1 chain | 1 |
| - | 10.1039/C0MD00095G | K562 | 1 |
Data from ChEMBL 36 via Core Engine