Compound Detail
CHEMBL1790768
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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](N)Cc1ccc(O)cc1)[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 | CHEMBL1790768 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FTCVTRWEOQELKR-VARUNMFWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
965.1
MW (Da)
-3.64
ALogP
14
HBA
14
HBD
417.0
PSA (Ų)
0.04
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Ribonucleoside-diphosphate reductase RR1 CHEMBL2095215 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Ribonucleoside-diphosphate reductase large subunit CHEMBL3840 | IC50 | 4.82 | 4.52 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory potency against Herpes Simplex virus ribonucleotide reductase | - |
| Ribonucleoside-diphosphate reductase RR1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibitory potency against Varicella zoster virus ribonucleotide reductase | - |
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate redu... | 2153825 |
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 60000.0 | nM | 4.22 | 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 |
| - | 10.1016/S0960-894X(96)00532-X | Unchecked | 1 |
| - | 10.1016/S0960-894X(96)00532-X | Ribonucleoside-diphosphate reductase RR1 | 1 |
Data from ChEMBL 36 via Core Engine