Compound Detail
CHEMBL1791395
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC)[C@H](O)c2ccc(O)c(c2)O[C@](C)(CC)[C@@H](C(=O)NCC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1791395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXTMSBIVCTYGAS-NBNOUWLYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
-0.21
ALogP
8
HBA
7
HBD
186.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 4800.0 | nM | 5.32 | 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