Compound Detail
CHEMBL365653
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCCCNS(C)(=O)=O)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL365653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVPIIGFPOBZLEX-JIPUOCAHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
727.9
MW (Da)
1.84
ALogP
12
HBA
3
HBD
188.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 7.7 | 7.59 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against wild type Human immuno deficiency virus (EP13) ... | 15990305 |
| Human immunodeficiency virus | IC50 | = | 21.0 | nM | 7.68 | Inhibitory concentration against wild type Human immuno deficiency virus (D54570... | 15990305 |
| Human immunodeficiency virus | IC50 | = | 41.0 | nM | 7.39 | Inhibitory concentration against wild type Human immuno deficiency virus (HXB2) ... | 15990305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15990305 | 10.1016/j.bmcl.2005.05.129 | Human immunodeficiency virus | 3 |
Data from ChEMBL 36 via Core Engine