Compound Detail
CHEMBL128812
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Basic Information
| ChEMBL ID | CHEMBL128812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHAWLEJVVXRRKY-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
2.94
ALogP
4
HBA
3
HBD
79.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.75 | 6.022 | 180.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibitory concentration against HIV-1 Bal/Mono | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 420.0 | nM | 6.38 | Inhibitory concentration against HIV-1 AZTres. | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 690.0 | nM | 6.16 | Inhibitory concentration against HIV-1 IIIB strain | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibitory concentration against HIV-1 IIIB strain | 11052800 |
| Human immunodeficiency virus 1 | IC50 | = | 4500.0 | nM | 5.35 | Tested for inhibitory concentration on HIV-I nevirapine resistant strain. | 11052800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus 1 | 8 |
| 11052800 | 10.1021/jm0009437 | CEM-SS | 2 |
| 11052800 | 10.1021/jm0009437 | MT4 | 2 |
| 11052800 | 10.1021/jm0009437 | ADMET | 2 |
| 11052800 | 10.1021/jm0009437 | Unchecked | 1 |
| 11052800 | 10.1021/jm0009437 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine