Compound Detail
CHEMBL1923475
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Basic Information
| ChEMBL ID | CHEMBL1923475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZIDMZWJTCKPLJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.8
MW (Da)
2.80
ALogP
7
HBA
1
HBD
120.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.85 | 6.01 | 140.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... | 22081993 |
| Human immunodeficiency virus 1 | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against Human immunodeficiency virus 1 NL4.3 infected in huma... | 22081993 |
| Human immunodeficiency virus 1 | EC50 | = | 2200.0 | nM | 5.66 | Antiviral activity against Human immunodeficiency virus 1 NL4.3 reverse transcri... | 22081993 |
| Human immunodeficiency virus 1 | EC50 | = | 21000.0 | nM | 4.68 | Antiviral activity against Human immunodeficiency virus 1 NL4.3 reverse transcri... | 22081993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22081993 | 10.1021/jm201134m | Human immunodeficiency virus 1 | 4 |
| 22081993 | 10.1021/jm201134m | MT2 | 2 |
Data from ChEMBL 36 via Core Engine