Compound Detail
CHEMBL72459
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL72459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACFLKRQYMVDGHR-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.0
MW (Da)
5.15
ALogP
7
HBA
2
HBD
109.7
PSA (Ų)
0.47
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.27 | 7.268 | 5.4 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 5.4 | nM | 8.27 | Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibitory activity against 103N strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 61.0 | nM | 7.21 | Inhibitory activity against 181C strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 131.0 | nM | 6.88 | Inhibitory activity against 100I strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 619.0 | nM | 6.21 | Inhibitory activity against 188L strain of HIV-1 in MT-4 cell was determined | 11527704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527704 | 10.1016/s0960-894x(01)00411-5 | Human immunodeficiency virus 1 | 5 |
Data from ChEMBL 36 via Core Engine