Compound Detail
CHEMBL568739
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Basic Information
| ChEMBL ID | CHEMBL568739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLJYQXMUUKOBBO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.3
MW (Da)
1.94
ALogP
5
HBA
1
HBD
25.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.11 | 5.11 | 7810.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.64 | 4.64 | 23080.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.36 | 4.33 | 44200.0 | 2 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 7810.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| NON-PROTEIN TARGET | IC50 | = | 23080.0 | nM | 4.64 | Antioxidant activity assessed as ABTS free radical scavenging activity by radica... | 19502068 |
| Mannose-6-phosphate isomerase | IC50 | = | 44200.0 | nM | 4.36 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 49706.0 | nM | 4.3 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Radical scavenging activity | IC50 | = | 53000.0 | nM | 4.28 | Antioxidant activity assessed as DPPH free radical scavenging activity by UV spe... | 19502068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19502068 | 10.1016/j.bmc.2009.05.039 | Mus musculus | 3 |
| 19502068 | 10.1016/j.bmc.2009.05.039 | Radical scavenging activity | 1 |
| 19502068 | 10.1016/j.bmc.2009.05.039 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine