Compound Detail
CHEMBL241858
ONONETIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL241858 |
| Name | ONONETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHBZOAYMBBUURD-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.53
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.13 | 4.5933 | 7330.0 | 3 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.24 | 4.24 | 57400.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.1 | 4.1 | 78880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7330.0 | nM | 5.13 | Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation ... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 35190.0 | nM | 4.45 | Antioxidant activity assessed as superoxide anion radical scavenging activity by... | 19481947 |
| Radical scavenging activity | IC50 | = | 57400.0 | nM | 4.24 | Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 62640.0 | nM | 4.2 | Antioxidant activity assessed as ABTS radical scavenging activity | 19481947 |
| Tyrosinase | IC50 | = | 78880.0 | nM | 4.1 | Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry | 19481947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19481947 | 10.1016/j.bmc.2009.05.019 | NON-PROTEIN TARGET | 5 |
| 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 |
| 18625539 | 10.1016/j.ejmech.2008.06.001 | Urease subunit alpha/Urease subunit beta | 1 |
| 19481947 | 10.1016/j.bmc.2009.05.019 | Radical scavenging activity | 1 |
| 22835872 | 10.1016/j.bmcl.2012.07.029 | Tyrosinase | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine