Compound Detail
CHEMBL3144268
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CO[C@@H]1[C@H](OP(C)(=O)O)[C@@H](COP(C)(=O)O)O[C@H]1n1cnc2c(=O)n3ncn(C)c3nc21
Basic Information
| ChEMBL ID | CHEMBL3144268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYKFSVXDPPYYGZ-IDTAVKCVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.3
MW (Da)
-0.28
ALogP
13
HBA
2
HBD
181.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MRC5 CHEMBL614181 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | IC50 | = | 6700.0 | nM | 5.17 | Inhibitory concentration for anti-HCMV activity against AD-169 strain in MRC-5 c... | 9836613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836613 | 10.1021/jm9802057 | MRC5 | 2 |
| 9836613 | 10.1021/jm9802057 | CEM-SS | 1 |
| 9836613 | 10.1021/jm9802057 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine