Compound Detail
CHEMBL386110
USTILOXIN D Enter ChEMBL ID:
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CC[C@@]1(C)Oc2cc(ccc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL386110 |
| Name | USTILOXIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDXLZSYACWZHOC-ZNRYNLAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
-0.60
ALogP
8
HBA
7
HBD
186.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of tubulin polymerization | 16837194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16837194 | 10.1016/j.bmcl.2006.06.071 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine