Compound Detail
CHEMBL414299
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CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL414299 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CDYIXTDGWVDGBD-XIMDLMDYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1133.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit CHEMBL1830 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein bindi... | 1310120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1310120 | 10.1021/jm00080a021 | Ribonucleoside-diphosphate reductase large subunit | 2 |
Data from ChEMBL 36 via Core Engine