Compound Detail
CHEMBL324018
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Basic Information
| ChEMBL ID | CHEMBL324018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWBMEMLDLHSVKV-NVMNQCDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.8
MW (Da)
3.65
ALogP
7
HBA
2
HBD
105.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 34000.0 | nM | 4.47 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109903 | 10.1021/jm020037p | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine