Compound Detail
CHEMBL338559
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Basic Information
| ChEMBL ID | CHEMBL338559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMMOFPAPRRPHLW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
1.87
ALogP
4
HBA
3
HBD
122.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.89 | 7.32 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 13.0 | nM | 7.89 | Inhibition of HIV-1 (IIIB) induced cytopathicity in MT-4 cells. | 15239667 |
| Human immunodeficiency virus 1 | EC50 | = | 180.0 | nM | 6.75 | Inhibition of Efavirenz resistant HIV-1 (Y181C) induced cytopathicity in MT-4 ce... | 15239667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239667 | 10.1021/jm031147e | Human immunodeficiency virus 1 | 4 |
| 15239667 | 10.1021/jm031147e | MT4 | 1 |
| 15239667 | 10.1021/jm031147e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine