Compound Detail
CHEMBL572009
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CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL572009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFHVATAONDWZBR-LDOMKLKSSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
659.8
MW (Da)
-1.52
ALogP
13
HBA
6
HBD
238.4
PSA (Ų)
0.17
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against Vaccinia virus Lederle infected in HEL cells assessed... | 20000418 |
| Human alphaherpesvirus 1 | EC50 | = | 54000.0 | nM | 4.27 | Antiviral activity against HSV1 KOS infected in HEL cells assessed as inhibition... | 20000418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20000418 | 10.1021/jm901590f | Dipeptidyl peptidase 4 | 3 |
| 20000418 | 10.1021/jm901590f | Human alphaherpesvirus 1 | 2 |
| 20000418 | 10.1021/jm901590f | Vaccinia virus | 2 |
| 20000418 | 10.1021/jm901590f | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine