Compound Detail
CHEMBL4172332
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CCOC(=O)C1=C(C)N(NC(=O)OC(C)(C)C)C23c4cc5c(cc4CCN2Cc2c(ccc(OC)c2OC)C13)OCO5
Basic Information
| ChEMBL ID | CHEMBL4172332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWDRPPQCFBSSPE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
579.6
MW (Da)
4.33
ALogP
10
HBA
1
HBD
108.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2364041 | EC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | EC50 | = | 74000.0 | nM | 4.13 | Antioxidant activity assessed as protection against ferrous ions and dioxygen-in... | 30196978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30196978 | 10.1016/j.bmc.2018.08.038 | NCTC-2544 | 6 |
| 30196978 | 10.1016/j.bmc.2018.08.038 | No relevant target | 1 |
| 30196978 | 10.1016/j.bmc.2018.08.038 | DNA | 1 |
Data from ChEMBL 36 via Core Engine