Compound Detail
CHEMBL302551
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Basic Information
| ChEMBL ID | CHEMBL302551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKZLTYJYIKHOJY-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.77
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.4 | 7.0 | 4.0 | 5 |
| MT4 CHEMBL388 | IC50 | 6.4 | 5.9 | 398.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against 103N strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 251.0 | nM | 6.6 | Inhibitory activity against 188L strain of HIV-1 in MT-4 cell was determined | 11527704 |
| MT4 | IC50 | = | 398.0 | nM | 6.4 | Inhibitory activity against 103N strain and 181C strain of HIV-I in MT-4 cell wa... | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 501.0 | nM | 6.3 | Inhibitory activity against 181C strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against 100I strain of HIV-I in MT-4 cell was determined | 11527704 |
| MT4 | IC50 | = | 3980.0 | nM | 5.4 | Inhibitory activity against 100I strain and 103N strain of HIV-I in MT-4 cell wa... | 11527704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527704 | 10.1016/s0960-894x(01)00411-5 | Human immunodeficiency virus 1 | 5 |
| 11527704 | 10.1016/s0960-894x(01)00411-5 | MT4 | 2 |
Data from ChEMBL 36 via Core Engine