Compound Detail
CHEMBL100964
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CCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)C(CC)CC)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL100964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJSSXZUVFWOSAC-ZVVDCOBXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
0.97
ALogP
8
HBA
6
HBD
217.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of Herpes simplex virus type 1 ribonucleotide reductase | 8411018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411018 | 10.1021/jm00072a021 | Unchecked | 1 |
| 8411018 | 10.1021/jm00072a021 | Ribonucleoside-diphosphate reductase large subunit | 1 |
Data from ChEMBL 36 via Core Engine