Compound Detail
CHEMBL19875
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CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](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)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL19875 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OKFAJXXDMHOMRX-YPZLOKHQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
735.8
MW (Da)
-1.26
ALogP
10
HBA
10
HBD
295.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase RR1 CHEMBL2095215 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase RR1 | IC50 | = | 12000.0 | nM | 4.92 | Compound was tested in vitro for inhibitory activity against Herpes Simplex Viru... | - |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity of YAGAVVNDL against Herpes Simplex Virus type 2 (HSV-2) rib... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80215-2 | Unchecked | 2 |
| - | 10.1016/S0960-894X(00)80215-2 | Ribonucleoside-diphosphate reductase RR1 | 1 |
Data from ChEMBL 36 via Core Engine