Compound Detail
CHEMBL58952
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Basic Information
| ChEMBL ID | CHEMBL58952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITKJFOOGOHTXFJ-NSHDSACASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.3
MW (Da)
3.67
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.33 | 7.33 | 46.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.32 | 7.32 | 47.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 47.3 | nM | 7.33 | Concentration required for 50% protection of MT-4 cells against the cytopathic e... | 7877144 |
| Human immunodeficiency virus 1 | IC50 | = | 46.77 | nM | 7.33 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
| Unchecked | IC50 | = | 47.86 | nM | 7.32 | Inhibition of HIV reverse transcriptase | 20060625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 12723956 | 10.1021/jm020271f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7877144 | 10.1021/jm00005a006 | Human immunodeficiency virus 1 | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
| 20110136 | 10.1016/j.ejmech.2010.01.002 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine