Compound Detail
CHEMBL416207
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Basic Information
| ChEMBL ID | CHEMBL416207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFYGCZYSNOMCDF-FCXRPNKRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
1.35
ALogP
8
HBA
6
HBD
173.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.77 | 5.625 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integr... | 10212126 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3300.0 | nM | 5.48 | Compound was evaluated for the inhibitory concentration against HIV-1 integrase ... | 10212126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212126 | 10.1021/jm980531m | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine