Compound Detail
CHEMBL4086524
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Basic Information
| ChEMBL ID | CHEMBL4086524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXZRHPHRSQJCML-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
4.49
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.4
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1 CHEMBL4105838 | IC50 | 5.4 | 5.26 | 4000.0 | 2 |
| DCN1-like protein 1 CHEMBL4105838 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 CHEMBL4523603 | IC50 | 5.26 | 5.1933 | 5500.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 91.4 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.591 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of DCN1 (unknown origin) incubated for 30 mins by competitive FP bind... | 38320715 |
| DCN1-like protein 1 | EC50 | = | 4200.0 | nM | 5.38 | Inhibition of human DCN1-mediated cullin neddylation assessed as reduction in tr... | 29547696 |
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 | IC50 | = | 5500.0 | nM | 5.26 | TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... | - |
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 | IC50 | = | 5500.0 | nM | 5.26 | TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... | - |
| DCN1-like protein 1 | IC50 | = | 7600.0 | nM | 5.12 | Binding affinity biotinylated human GST-tagged DCN1 assessed as inhibition of pr... | 29547696 |
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 | IC50 | = | 8752.0 | nM | 5.06 | TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29547696 | 10.1021/acs.jmedchem.7b01277 | DCN1-like protein 1 | 3 |
| 29547693 | 10.1021/acs.jmedchem.7b01282 | Liver | 2 |
| 29547696 | 10.1021/acs.jmedchem.7b01277 | No relevant target | 2 |
| 29547696 | 10.1021/acs.jmedchem.7b01277 | BJ | 1 |
| 29547696 | 10.1021/acs.jmedchem.7b01277 | HCC95 | 1 |
| 38320715 | 10.1016/j.bmcl.2024.129647 | DCN1-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine