Compound Detail
CHEMBL366434
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Basic Information
| ChEMBL ID | CHEMBL366434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CURUHHBCJWGOPD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
2.04
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.84 | 4.695 | 14300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 14300.0 | nM | 4.84 | Inhibitory concentration against HIV-1 integrase by strand transfer method | 9083480 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 27900.0 | nM | 4.55 | Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method | 9083480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083480 | 10.1021/jm960596u | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine