Compound Detail
CHEMBL397094
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.Nc1nc(=O)n([C@H]2C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)cc1F
Basic Information
| ChEMBL ID | CHEMBL397094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTTGDKRNIDGLRS-LIAJSWTCSA-N |
| Parent Compound | CHEMBL1185193 |
| Active Moiety | CHEMBL1185193 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.1
MW (Da)
0.26
ALogP
10
HBA
5
HBD
220.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.2167 | 4700.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of recombinant wild type HIV reverse transcriptase | 17434736 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of HIV reverse transcriptase M184I mutant in PBM cells | 17434736 |
| Unchecked | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of wild type HIV reverse transcriptase in PBM cells | 17434736 |
| Unchecked | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of HIV reverse transcriptase M184V mutant in PBM cells | 17434736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434736 | 10.1016/j.bmcl.2007.03.094 | Unchecked | 3 |
| 17434736 | 10.1016/j.bmcl.2007.03.094 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine