Compound Detail
CHEMBL1173791
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Basic Information
| ChEMBL ID | CHEMBL1173791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APTKIIOGHPGTKT-GDNBJRDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
4.15
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 16900.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.73 | 4.73 | 18750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16900.0 | nM | 4.77 | Inhibition of His-tagged recombinant NS5B Cdelta 21 polymerase expressed in Esch... | 20627595 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 18750.0 | nM | 4.73 | Inhibition of HIV1 His6-tagged integrase assessed as inhibition of interaction w... | 25999203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20947220 | 10.1016/j.ejmech.2010.09.045 | Staphylococcus aureus | 5 |
| 25999203 | 10.1016/j.bmc.2015.04.072 | Human immunodeficiency virus type 1 integrase | 2 |
| 20627595 | 10.1016/j.bmc.2010.05.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine