Compound Detail
CHEMBL195666
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C=CCCCCC(NC(=O)c1cccc(O)c1OCCC=C)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Basic Information
| ChEMBL ID | CHEMBL195666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNRAGFTUEPPSIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
4.91
ALogP
7
HBA
3
HBD
125.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 2.0 | nM | 8.7 | Inhibitory activity against human immunodeficiency virus 1 protease | 15887965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887965 | 10.1021/jm050019i | MT2 | 2 |
| 15887965 | 10.1021/jm050019i | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine