Compound Detail
CHEMBL18635
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Basic Information
| ChEMBL ID | CHEMBL18635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQROATPHCLGYEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.37
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.96 | 6.8 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of HIV-1 integrase-mediated strand transfer | 9111292 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 230.0 | nM | 6.64 | Inhibition of HIV-1 integrase-mediated 3'-processing | 9111292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111292 | 10.1021/jm960449w | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine