Compound Detail
CHEMBL2047560
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NC1=Nc2ncnc3c2c(cn3[C@H]2C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C=C1
Basic Information
| ChEMBL ID | CHEMBL2047560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QESHCCKHAWGJLQ-WAAGHKOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.2
MW (Da)
1.74
ALogP
11
HBA
5
HBD
228.9
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 22400.0 | nM | 4.65 | Binding affinity to wild type HIV1 reverse transcriptase by pre-steady state kin... | 22595174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22595174 | 10.1016/j.bmcl.2012.04.078 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
Data from ChEMBL 36 via Core Engine