Compound Detail
CHEMBL389694
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CCNP(=O)(O)C(F)(F)P(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]
Basic Information
| ChEMBL ID | CHEMBL389694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQCSXQJKAVCPMA-UTLUCORTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.3
MW (Da)
1.48
ALogP
10
HBA
5
HBD
255.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.38 | 6.38 | 415.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 415.0 | nM | 6.38 | Inhibition of HIV1 reverse transcriptase | 15615539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615539 | 10.1021/jm040116w | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine