Compound Detail
CHEMBL71683
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Basic Information
| ChEMBL ID | CHEMBL71683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFMZQTVNYCWQGT-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.2
MW (Da)
4.19
ALogP
7
HBA
3
HBD
106.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.62 | 7.696 | 2.4 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 100.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 100.0 | ng.hr.mL-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2.4 | nM | 8.62 | Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibitory activity against 103N strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 26.0 | nM | 7.58 | Inhibitory activity against 188L strain of HIV-1 in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 38.0 | nM | 7.42 | Inhibitory activity against 181C strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 107.0 | nM | 6.97 | Inhibitory activity against 100I strain of HIV-I 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 |
| 15771441 | 10.1021/jm049439i | ADMET | 2 |
| 15771441 | 10.1021/jm049439i | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine