Compound Detail
CHEMBL1202005
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
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2.O.O=C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1202005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OECUFFQGXSDDJW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL141314 |
| Active Moiety | CHEMBL141314 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.8
MW (Da)
4.60
ALogP
8
HBA
1
HBD
68.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1300.0 | nM | 5.89 | Tested in vitro for the inhibition of iron-dependent lipid peroxidation against ... | 1447746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447746 | 10.1021/jm00101a025 | Rattus norvegicus | 1 |
| 1447746 | 10.1021/jm00101a025 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine