Compound Detail
CHEMBL409888
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CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)C(C)C)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL409888 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OVQQULKVXPQEHN-MPQCOTKXSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
686.8
MW (Da)
-3.33
ALogP
10
HBA
10
HBD
318.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit CHEMBL3840 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 36000.0 | nM | 4.44 | Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was deter... | 2153825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153825 | 10.1021/jm00164a040 | Ribonucleoside-diphosphate reductase large subunit | 2 |
| 2153825 | 10.1021/jm00164a040 | Ribonucleoside-diphosphate reductase RR1 | 1 |
| 8411018 | 10.1021/jm00072a021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine