Compound Detail
CHEMBL68175
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Basic Information
| ChEMBL ID | CHEMBL68175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDEPZSKTKQYQEQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.28
ALogP
3
HBA
1
HBD
41.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.5 | 4.495 | 31622.8 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.49 | 4.49 | 32359.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 31622.78 | nM | 4.5 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 32100.0 | nM | 4.49 | Inhibitory concentration against HIV-1 replication by interfering with virus rev... | 8667357 |
| Human immunodeficiency virus 1 | IC50 | = | 32100.0 | nM | 4.49 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 7877143 |
| Unchecked | IC50 | = | 32359.37 | nM | 4.49 | Inhibition of HIV reverse transcriptase | 20060625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667357 | 10.1021/jm950589q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7877143 | 10.1021/jm00005a005 | 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