Compound Detail
CHEMBL256922
TUBULYSIN-A Enter ChEMBL ID:
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CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)O)cs1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL256922 |
| Name | TUBULYSIN-A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBEDDHUHZBDXGB-OEJISELMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
844.1
MW (Da)
5.71
ALogP
12
HBA
4
HBD
204.8
PSA (Ų)
0.08
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 750.0 | nM | 6.12 | Inhibition of rat brain tubulin polymerization | 18411048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18411048 | 10.1016/j.bmcl.2008.03.046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine