Compound Detail
CHEMBL597779
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Basic Information
| ChEMBL ID | CHEMBL597779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMUOMFLFUUHUPE-XLPZGREQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
-2.04
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 24000.0 | nM | 4.62 | Antiviral activity against HIV1 LAI in human CEM-SS cells assessed as RT activit... | 20112915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20112915 | 10.1021/jm901758f | Human immunodeficiency virus 1 | 4 |
| 38294854 | 10.1021/acs.jmedchem.3c01820 | Methylcytosine dioxygenase TET1 | 2 |
| 38294854 | 10.1021/acs.jmedchem.3c01820 | Unchecked | 2 |
| 20112915 | 10.1021/jm901758f | CEM-SS | 1 |
| 20112915 | 10.1021/jm901758f | MT4 | 1 |
| 27980707 | 10.1021/acsmedchemlett.5b00366 | Unchecked | 1 |
| 38294854 | 10.1021/acs.jmedchem.3c01820 | Methylcytosine dioxygenase TET2 | 1 |
| 38294854 | 10.1021/acs.jmedchem.3c01820 | Methylcytosine dioxygenase TET3 | 1 |
| 38294854 | 10.1021/acs.jmedchem.3c01820 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine