Compound Detail
CHEMBL4100965
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Basic Information
| ChEMBL ID | CHEMBL4100965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSYDXBRADWMZDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.86
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1 CHEMBL4105838 | IC50 | 5.37 | 5.37 | 4250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 349.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.155 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1 | IC50 | = | 4250.0 | nM | 5.37 | 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