Compound Detail
CHEMBL344157
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CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)CC4C5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)nc1N(CC)CC
Basic Information
| ChEMBL ID | CHEMBL344157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGKOFSMXHVZNDI-UZJNKIHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
627.9
MW (Da)
6.56
ALogP
7
HBA
0
HBD
60.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 3000.0 | nM | 5.52 | 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 |
Data from ChEMBL 36 via Core Engine