Compound Detail
CHEMBL1162284
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[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1162284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGEGXIJPEKKZHN-RRKCRQDMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
596.2
MW (Da)
0.84
ALogP
15
HBA
6
HBD
334.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.82 | 6.73 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 150.0 | nM | 6.82 | Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady ... | 17517852 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 230.0 | nM | 6.64 | Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporatio... | 17517852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517852 | 10.1128/aac.00314-07 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 17517852 | 10.1128/aac.00314-07 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine