Compound Detail
CHEMBL5430375
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)(C)C(=O)Oc1ccc(/C=C/c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5430375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHDXVXLIGLVYOK-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
6.71
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 39000.0 | nM | 4.41 | Cytotoxicity against human MIA PaCa-2 cells incubated for 24 hrs by MTT assay | 36463729 |
| HT-29 | IC50 | = | 56000.0 | nM | 4.25 | Cytotoxicity against human HT-29 cells incubated for 24 hrs by MTT assay | 36463729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36463729 | 10.1016/j.ejmech.2022.114962 | HT-29 | 1 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | MIA PaCa-2 | 1 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine