Compound Detail
CHEMBL4066771
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Basic Information
| ChEMBL ID | CHEMBL4066771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWNHCDOXMVTAIW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
6.53
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 CHEMBL4523603 | IC50 | 5.19 | 5.19 | 6515.0 | 1 |
| DCN1-like protein 1 CHEMBL4105838 | IC50 | 5.13 | 5.13 | 7440.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 66.9 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.808 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 | IC50 | = | 6515.0 | nM | 5.19 | TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... | - |
| DCN1-like protein 1 | IC50 | = | 7440.0 | nM | 5.13 | Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in prot... | 29547693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29547693 | 10.1021/acs.jmedchem.7b01282 | Liver | 2 |
| 29547693 | 10.1021/acs.jmedchem.7b01282 | DCN1-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine