Compound Detail
CHEMBL3589937
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Basic Information
| ChEMBL ID | CHEMBL3589937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMGTUXMKWCDHFO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
3.41
ALogP
6
HBA
5
HBD
136.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.82 | 5.6233 | 150.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of HIV integrase 3' processing activity | 25089179 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HIV integrase strand transfer activity | 25089179 |
| Unchecked | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of HIV reverse transcriptase polymerase | 25089179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25089179 | 10.1039/c4md00055b | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine