Compound Detail
CHEMBL4159700
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Basic Information
| ChEMBL ID | CHEMBL4159700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBLLGYVUOCOUHC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
1.30
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.17 | 4.17 | 67100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 67100.0 | nM | 4.17 | Antioxidant activity assessed as redox reaction between compound and MTT in DMSO... | 28885836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28885836 | 10.1021/acs.jnatprod.7b00322 | No relevant target | 1 |
| 28885836 | 10.1021/acs.jnatprod.7b00322 | Unchecked | 1 |
| 28885836 | 10.1021/acs.jnatprod.7b00322 | Prostaglandin G/H synthase 1 | 1 |
| 28885836 | 10.1021/acs.jnatprod.7b00322 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine