Compound Detail
CHEMBL2235213
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Basic Information
| ChEMBL ID | CHEMBL2235213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZBFLDRLUBQEAL-UTLPMFLDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
3.34
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.1 | 5.1 | 7940.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.68 | 4.68 | 20710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 7940.0 | nM | 5.1 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
| NON-PROTEIN TARGET | IC50 | = | 20710.0 | nM | 4.68 | Antioxidant activity assessed as DPPH scavenging activity after 30 min by spectr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9521-0 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-010-9521-0 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine