Compound Detail
CHEMBL523309
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Basic Information
| ChEMBL ID | CHEMBL523309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNHPMLMZPGXEBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
2.01
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of HIV recombinant integrase strand transfer assay | 19374386 |
| Human immunodeficiency virus | IC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against pseudotype HIV after 2 days in absence of human serum... | 19374386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19374386 | 10.1021/jm801404b | Human immunodeficiency virus | 2 |
| 19374386 | 10.1021/jm801404b | Human immunodeficiency virus 1 | 2 |
| 19374386 | 10.1021/jm801404b | Unchecked | 1 |
| 19374386 | 10.1021/jm801404b | MT4 | 1 |
Data from ChEMBL 36 via Core Engine