Compound Detail
CHEMBL150424
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Basic Information
| ChEMBL ID | CHEMBL150424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYFHUOSUAQXPEP-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
2.53
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.57 | 5.5067 | 270.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 140.0 | nM | 6.85 | Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells | 8558522 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 270.0 | nM | 6.57 | Inhibitory activity against HIV rRT activity in wild type IIIB strain | 8558522 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory activity against HIV rRT activity in mutant HIV-1 strain resistant to... | 8558522 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory activity against HIV rRT activity in HIV-1 mutant resistant to TIBO(L... | 8558522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558522 | 10.1021/jm950568w | MT4 | 3 |
| 8558522 | 10.1021/jm950568w | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8558522 | 10.1021/jm950568w | Human immunodeficiency virus type 2 pol protein | 1 |
Data from ChEMBL 36 via Core Engine