Compound Detail
CHEMBL1916186
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Basic Information
| ChEMBL ID | CHEMBL1916186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCUXSQJYIWEGRG-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.24
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.37 | 4.37 | 42400.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.18 | 4.18 | 65340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 42400.0 | nM | 4.37 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23234407 |
| No relevant target | IC50 | = | 65340.0 | nM | 4.18 | Antioxidant activity assessed as nitric oxide free radical scavenging activity b... | 23234407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23234407 | 10.1021/np3003673 | RAW264.7 | 4 |
| 21800859 | 10.1021/np100920q | MCF7 | 3 |
| 21800859 | 10.1021/np100920q | Arabidopsis thaliana | 1 |
| 21800859 | 10.1021/np100920q | MDA-MB-231 | 1 |
| 21800859 | 10.1021/np100920q | A549 | 1 |
| 21800859 | 10.1021/np100920q | Ca9-22 | 1 |
| 21800859 | 10.1021/np100920q | NON-PROTEIN TARGET | 1 |
| 21800859 | 10.1021/np100920q | HepG2 | 1 |
| 23234407 | 10.1021/np3003673 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine