Compound Detail
CHEMBL514830
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Basic Information
| ChEMBL ID | CHEMBL514830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCQCIZOGTFMLHP-VOTSOKGWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.42
ALogP
6
HBA
1
HBD
72.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.98 | 4.51 | 10500.0 | 2 |
| Neutrophil CHEMBL613710 | IC50 | 4.7 | 4.7 | 19950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of LPS/IFNgamma-induced NO production in mouse RAW264.7 cells after 2... | 21441032 |
| Neutrophil | IC50 | = | 19950.0 | nM | 4.7 | Inhibition of FMLP/CB-stimulated superoxide anion generation in human neutrophil... | 21441032 |
| RAW264.7 | IC50 | = | 91300.0 | nM | 4.04 | Cytotoxicity against mouse RAW264.7 cells assessed as cell viability after 4 hrs... | 21441032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602831 | 10.1016/j.bmc.2008.06.018 | KB | 2 |
| 21441032 | 10.1016/j.bmc.2011.02.038 | RAW264.7 | 2 |
| 21441032 | 10.1016/j.bmc.2011.02.038 | Neutrophil | 2 |
| 22055718 | 10.1016/j.bmc.2011.08.004 | NON-PROTEIN TARGET | 2 |
| 18602831 | 10.1016/j.bmc.2008.06.018 | PC-3 | 1 |
| 18602831 | 10.1016/j.bmc.2008.06.018 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine