Compound Detail
CHEMBL438262
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Basic Information
| ChEMBL ID | CHEMBL438262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHXHCOOCJYALBS-WCIBSUBMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.7
MW (Da)
2.72
ALogP
4
HBA
3
HBD
94.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2000.0 | nM | 5.7 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine