Compound Detail
CHEMBL267068
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC(CC)CC(=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)C
Basic Information
| ChEMBL ID | CHEMBL267068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMSUBWBUOUIQP-OYSWMMLKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
639.8
MW (Da)
1.42
ALogP
7
HBA
6
HBD
211.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit CHEMBL3840 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Ribonucleoside-diphosphate reductase RR1 CHEMBL2095215 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibitory potency against Herpes Simplex virus ribonucleotide reductase | - |
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase ... | 8667361 |
| Ribonucleoside-diphosphate reductase RR1 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory potency against Varicella zoster virus ribonucleotide reductase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00532-X | Unchecked | 1 |
| - | 10.1016/S0960-894X(96)00532-X | Ribonucleoside-diphosphate reductase RR1 | 1 |
| 8667361 | 10.1021/jm950825x | Ribonucleoside-diphosphate reductase large subunit | 1 |
Data from ChEMBL 36 via Core Engine