Compound Detail
CHEMBL3236513
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Basic Information
| ChEMBL ID | CHEMBL3236513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNWDNAASYHRXMG-YFKPBYRVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
0.75
ALogP
8
HBA
3
HBD
134.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.67
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.67 | 4.645 | 21200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 6000.0 | nM | 5.22 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 32141299 |
| RAW264.7 | IC50 | = | 21200.0 | nM | 4.67 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 24679441 |
| RAW264.7 | IC50 | = | 23800.0 | nM | 4.62 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 24679441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24679441 | 10.1016/j.bmcl.2014.03.014 | RAW264.7 | 7 |
| 24679441 | 10.1016/j.bmcl.2014.03.014 | Bifunctional epoxide hydrolase 2 | 2 |
| 32141299 | 10.1021/acs.jnatprod.9b00877 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine