Compound Detail
CHEMBL4790338
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COc1cc2c(cc1O)CCC(C)(CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)O2
Basic Information
| ChEMBL ID | CHEMBL4790338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZWCDXPJMHOFKH-FBQWANIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
7.52
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 16200.0 | nM | 4.79 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 27541262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27541262 | 10.1016/j.ejmech.2016.08.007 | SH-SY5Y | 18 |
| 27541262 | 10.1016/j.ejmech.2016.08.007 | No relevant target | 1 |
| 27541262 | 10.1016/j.ejmech.2016.08.007 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine