Compound Detail
CHEMBL443548
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Basic Information
| ChEMBL ID | CHEMBL443548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRPKAXMNMBIYGN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.9
MW (Da)
2.26
ALogP
4
HBA
3
HBD
122.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.0 | 6.4133 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 10.0 | nM | 8.0 | Inhibition of HIV-1 (IIIB) induced cytopathicity in MT-4 cells. | 15239667 |
| Human immunodeficiency virus 1 | EC50 | = | 360.0 | nM | 6.44 | Inhibition of Efavirenz resistant HIV-1 (Y181C) induced cytopathicity in MT-4 ce... | 15239667 |
| Human immunodeficiency virus 1 | EC50 | = | 16000.0 | nM | 4.8 | 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine