Compound Detail
CHEMBL199452
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Basic Information
| ChEMBL ID | CHEMBL199452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFRQYAFDZJLKFI-OVCLIPMQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
1.26
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of rat bone marrow myeloperoxidase using H2O2 as substrate after 20 m... | 32278712 |
| No relevant target | IC50 | = | 18300.0 | nM | 4.74 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 32278712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32278712 | 10.1016/j.bmc.2020.115470 | Unchecked | 2 |
| 32278712 | 10.1016/j.bmc.2020.115470 | No relevant target | 2 |
| 16263280 | 10.1016/j.bmcl.2005.09.058 | Plasmodium falciparum | 1 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine