Compound Detail
CHEMBL145946
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Basic Information
| ChEMBL ID | CHEMBL145946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJYDUMPZXNVODS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.76
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.3 | 6.26 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay. | 11150161 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay. | 11150161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150161 | 10.1021/jm000176b | Human immunodeficiency virus type 1 integrase | 2 |
| 11150161 | 10.1021/jm000176b | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine