Compound Detail
CHEMBL1761184
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Basic Information
| ChEMBL ID | CHEMBL1761184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSAUOVDONRNMSS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1789252 |
| Active Moiety | CHEMBL1789252 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.37
ALogP
6
HBA
0
HBD
57.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1820.0 | nM | 5.74 | Antiviral activity against 0.05 MOI Human immunodeficiency virus 1 NL4.3 infecte... | 21295891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295891 | 10.1016/j.ejmech.2011.01.016 | Human immunodeficiency virus 1 | 2 |
| 21295891 | 10.1016/j.ejmech.2011.01.016 | ADMET | 1 |
| 21295891 | 10.1016/j.ejmech.2011.01.016 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 21295891 | 10.1016/j.ejmech.2011.01.016 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine