Compound Detail
CHEMBL56812
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Basic Information
| ChEMBL ID | CHEMBL56812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHZDJFQCAFAICW-DXXLYGDBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
5.14
ALogP
7
HBA
1
HBD
69.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 170.0 | nM | 6.77 | Ability to inhibit the GTP/glutamate-induced polymerization of tubulin | 11960501 |
| Tubulin | IC50 | = | 170.0 | nM | 6.77 | Inhibition of GTP/glutamate-induced bovine brain tubulin polymerization by coult... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960501 | 10.1021/jm0105171 | A2780 | 2 |
| 11960501 | 10.1021/jm0105171 | MDA-MB-231 | 1 |
| 11960501 | 10.1021/jm0105171 | PC-3 | 1 |
| 11960501 | 10.1021/jm0105171 | 2008 | 1 |
| 11960501 | 10.1021/jm0105171 | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine