Compound Detail
CHEMBL2043330
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Basic Information
| ChEMBL ID | CHEMBL2043330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHALJYZRPGYQSI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.59
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.07 | 4.07 | 85340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 35000.0 | nM | 4.46 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23234407 |
| No relevant target | IC50 | = | 85340.0 | nM | 4.07 | Antioxidant activity assessed as nitric oxide free radical scavenging activity b... | 23234407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22647223 | 10.1016/j.ejmech.2012.04.044 | Thrombin | 4 |
| 23234407 | 10.1021/np3003673 | RAW264.7 | 4 |
| 34902735 | 10.1016/j.ejmech.2021.114035 | Plasma | 3 |
| 23234407 | 10.1021/np3003673 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine