Compound Detail
CHEMBL126278
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Basic Information
| ChEMBL ID | CHEMBL126278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJGACOXTAHQLTD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
131.1
MW (Da)
-2.45
ALogP
3
HBA
3
HBD
98.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.15 | 7.79 | 0.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.7 | nM | 9.15 | Inhibition of HIV-1 (IIIB) induced cytopathicity in MT-4 cells. | 15239667 |
| Human immunodeficiency virus 1 | EC50 | = | 5.0 | nM | 8.3 | Inhibition of Efavirenz resistant HIV-1 (Y181C) induced cytopathicity in MT-4 ce... | 15239667 |
| Human immunodeficiency virus 1 | EC50 | = | 1200.0 | nM | 5.92 | Inhibition of Efavirenz resistant HIV-1 (K103N-Y181C) induced cytopathicity in M... | 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 | C8166 | 1 |
| 15239667 | 10.1021/jm031147e | Unchecked | 1 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 1 |
Data from ChEMBL 36 via Core Engine