Compound Detail
CHEMBL3561922
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Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@H]4C(O)[C@@H]1[C@H]1C(O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@@]314)C2=O
Basic Information
| ChEMBL ID | CHEMBL3561922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYNIPTDPTUSUAY-MXPSAXPWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
2.01
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-editing ligase 1, mitochondrial CHEMBL4105928 | IC50 | 5.39 | 5.39 | 4099.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-editing ligase 1, mitochondrial | IC50 | = | 4099.0 | nM | 5.39 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine