Compound Detail
CHEMBL536726
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Basic Information
| ChEMBL ID | CHEMBL536726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGWEBJAOFIORT-CFYXSCKTSA-N |
| Parent Compound | CHEMBL1188544 |
| Active Moiety | CHEMBL1188544 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.77
ALogP
6
HBA
0
HBD
51.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin beta-1 chain | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C | 15943482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943482 | 10.1021/jm0205797 | P388 | 1 |
| 15943482 | 10.1021/jm0205797 | BXPC-3 | 1 |
| 15943482 | 10.1021/jm0205797 | SK-N-SH | 1 |
| 15943482 | 10.1021/jm0205797 | SW-1736 | 1 |
| 15943482 | 10.1021/jm0205797 | NCI-H460 | 1 |
| 15943482 | 10.1021/jm0205797 | DU-145 | 1 |
| 15943482 | 10.1021/jm0205797 | FaDu | 1 |
| 15943482 | 10.1021/jm0205797 | Tubulin beta-1 chain | 1 |
Data from ChEMBL 36 via Core Engine