Compound Detail
CHEMBL4573962
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Basic Information
| ChEMBL ID | CHEMBL4573962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INGQRUQCHRFZGR-VXGBXAGGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.61
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.37 | 4.37 | 42400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of recombinant HIV1 Protease | 26799988 |
| RAW264.7 | IC50 | = | 42400.0 | nM | 4.37 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells incubated for 24... | 31642320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31642320 | 10.1021/acs.jnatprod.9b00520 | RAW264.7 | 2 |
| 26799988 | 10.1021/acs.jmedchem.5b01697 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine