Compound Detail
CHEMBL496598
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Basic Information
| ChEMBL ID | CHEMBL496598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXFZUZXCHYDOJO-FYWRMAATSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.58
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | EC50 | 6.25 | 6.125 | 556.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | EC50 | = | 556.0 | nM | 6.25 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18667320 |
| RAW264.7 | EC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs... | 18667320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19628311 | 10.1016/j.ejmech.2009.06.029 | Mus musculus | 23 |
| 18667320 | 10.1016/j.bmc.2008.07.006 | RAW264.7 | 3 |
| 19628311 | 10.1016/j.ejmech.2009.06.029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine