Compound Detail
CHEMBL4072130
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4072130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGMCTSRWJUZYSB-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
5.73
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
EC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1 CHEMBL4105838 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 CHEMBL4523603 | IC50 | 6.72 | 6.71 | 190.0 | 2 |
| DCN1-like protein 1 CHEMBL4105838 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| HCC95 CHEMBL4296387 | EC50 | 4.34 | 4.34 | 46000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 220.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.245 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1 | EC50 | = | 110.0 | nM | 6.96 | Inhibition of human DCN1-mediated cullin neddylation assessed as reduction in tr... | 29547696 |
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 | IC50 | = | 190.0 | nM | 6.72 | 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 | = | 201.0 | nM | 6.7 | TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... | - |
| DCN1-like protein 1 | IC50 | = | 360.0 | nM | 6.44 | Binding affinity biotinylated human GST-tagged DCN1 assessed as inhibition of pr... | 29547696 |
| HCC95 | EC50 | = | 46000.0 | nM | 4.34 | Growth inhibition of human HCC95 cells | 29547696 |
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 |
Data from ChEMBL 36 via Core Engine