Compound Detail
CHEMBL404007
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@@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42
Basic Information
| ChEMBL ID | CHEMBL404007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MACDUZOVBRUEGF-WNJJXGMVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
5.64
ALogP
6
HBA
0
HBD
60.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Brain CHEMBL613617 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of NADH-induced lipid peroxidation in rat brain microsome | 18183943 |
| Brain | IC50 | = | 14600.0 | nM | 4.84 | Inhibition of Fe2+-induced lipid peroxidation in rat brain homogenate | 18183943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18183943 | 10.1021/jm070618k | Mus musculus | 2 |
| 18183943 | 10.1021/jm070618k | Rattus norvegicus | 1 |
| 18183943 | 10.1021/jm070618k | Brain | 1 |
Data from ChEMBL 36 via Core Engine