Compound Detail
CHEMBL412300
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Cc1cn([C@H]2C=C[C@@H](OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL412300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKRLTKRAMNQTPH-SFYZADRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.1
MW (Da)
-0.36
ALogP
10
HBA
5
HBD
223.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Inhibition of wild type HIV reverse transcriptase | 18029175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18029175 | 10.1016/j.bmcl.2007.10.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine