Compound Detail
CHEMBL364097
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Basic Information
| ChEMBL ID | CHEMBL364097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLULSGGUQBPYDX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.98
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
EC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 19000.0 | nM | 4.72 | Effective concentration required for the inhibition of HIV-1 cytopathic effect | 15456274 |
| Human immunodeficiency virus 1 | IC50 | = | 19000.0 | nM | 4.72 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 26000.0 | nM | 4.58 | Inhibitory concentration against HIV-1 integrase mediated strand transfer reacti... | 15456274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456274 | 10.1021/jm049944f | Human immunodeficiency virus type 1 integrase | 3 |
| 15456274 | 10.1021/jm049944f | CEM-SS | 1 |
| 15456274 | 10.1021/jm049944f | Human immunodeficiency virus 1 | 1 |
| 15456274 | 10.1021/jm049944f | ADMET | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-010-9520-1 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine