Compound Detail
CHEMBL2092979
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Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2.Cl.Cl.O
Basic Information
| ChEMBL ID | CHEMBL2092979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIIIPKKGSIBHY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL141343 |
| Active Moiety | CHEMBL141343 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
4.21
ALogP
8
HBA
1
HBD
68.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 600.0 | nM | 6.22 | Tested in vitro for the inhibition of iron-dependent lipid peroxidation against ... | 1447746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447746 | 10.1021/jm00101a025 | Mus musculus | 6 |
| 1447746 | 10.1021/jm00101a025 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine