Compound Detail
CHEMBL192739
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Basic Information
| ChEMBL ID | CHEMBL192739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYTHTIHLBPZGHG-HJWRWDBZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.77
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin beta-1 chain | IC50 | = | 500.0 | nM | 6.3 | 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 |
Data from ChEMBL 36 via Core Engine