Compound Detail
CHEMBL267605
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Basic Information
| ChEMBL ID | CHEMBL267605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVNIPHIOIFCOHN-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.24
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.67 | 4.67 | 21640.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.55 | 4.42 | 28250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 21640.0 | nM | 4.67 | Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 28250.0 | nM | 4.55 | Antioxidant activity assessed as superoxide anion radical scavenging activity by... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 50690.0 | nM | 4.29 | Antioxidant activity assessed as ABTS radical scavenging activity | 19481947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19481947 | 10.1016/j.bmc.2009.05.019 | NON-PROTEIN TARGET | 4 |
| 19481947 | 10.1016/j.bmc.2009.05.019 | Tyrosinase | 3 |
| 17400458 | 10.1016/j.bmc.2007.03.045 | Urease subunit alpha/Urease subunit beta | 1 |
| 19481947 | 10.1016/j.bmc.2009.05.019 | Radical scavenging activity | 1 |
| 20800321 | 10.1016/j.ejmech.2010.08.016 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine