Compound Detail
CHEMBL223397
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BP(=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])OP(=O)(O)C(Cl)(Cl)P(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL223397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQLPUBYBDGIFRB-YDGBHWDFSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
569.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.13 | 7.08 | 74.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 48.0 | hr | Bos taurus |
| T1/2 | 45.0 | hr | Bos taurus |
| T1/2 | 48.0 | hr | Homo sapiens |
| T1/2 | 48.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 74.0 | nM | 7.13 | Inhibition of HIV1 reverse transcriptase | 15615539 |
| Unchecked | Ki | = | 93.0 | nM | 7.03 | Inhibition of HIV1 reverse transcriptase | 15615539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615539 | 10.1021/jm040116w | Unchecked | 4 |
| 15615539 | 10.1021/jm040116w | Serum | 2 |
| 15615539 | 10.1021/jm040116w | CCRF-CEM | 2 |
Data from ChEMBL 36 via Core Engine