Compound Detail
CHEMBL89039
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
Basic Information
| ChEMBL ID | CHEMBL89039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNHAAYJZPGBHFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.54
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 460.0 | nM | 6.34 | Inhibitory concentration against the growth of MCF-7 human breast carcinoma cell... | 12036378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036378 | 10.1021/jm020077t | Tubulin | 2 |
| 12036378 | 10.1021/jm020077t | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine