Compound Detail
CHEMBL303618
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CNC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL303618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIBQDRADGJEXQS-BOSXTWCSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
-0.99
ALogP
7
HBA
7
HBD
223.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit CHEMBL3840 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 42000.0 | nM | 4.38 | Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase ... | 8667361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667361 | 10.1021/jm950825x | Ribonucleoside-diphosphate reductase large subunit | 1 |
Data from ChEMBL 36 via Core Engine