Compound Detail
CHEMBL574873
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Cc1cc(N)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC/C=C\CO
Basic Information
| ChEMBL ID | CHEMBL574873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWFBEBLXMISKIE-RMXKABMZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
1.70
ALogP
8
HBA
5
HBD
154.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.74 | 6.55 | 184.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 184.0 | nM | 6.74 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 19954246 |
| Human immunodeficiency virus 1 | EC50 | = | 433.0 | nM | 6.36 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 19954246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954246 | 10.1021/jm9005115 | Human immunodeficiency virus 1 | 3 |
| 19954246 | 10.1021/jm9005115 | Protease | 1 |
| 19954246 | 10.1021/jm9005115 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine