Compound Detail
CHEMBL3770941
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Basic Information
| ChEMBL ID | CHEMBL3770941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKNZMAXRYXBQMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.61
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Structural capsid protein CHEMBL2366504 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 5300.0 | nM | 5.28 | Antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells assessed as... | 26685880 |
| Structural capsid protein | IC50 | = | 21000.0 | nM | 4.68 | Binding affinity to recombinant N-terminal GST-tagged HIV1 NL4-3 capsid C-termin... | 26685880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26685880 | 10.1021/acs.jmedchem.5b01089 | Structural capsid protein | 1 |
| 26685880 | 10.1021/acs.jmedchem.5b01089 | Human immunodeficiency virus 1 | 1 |
| 26685880 | 10.1021/acs.jmedchem.5b01089 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine