Compound Detail
CHEMBL2062145
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)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@]1(Cc2ccccc2)CCN([C@H]2c3ccccc3C[C@H]2O)C1=O
Basic Information
| ChEMBL ID | CHEMBL2062145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZDSNPAQXFHSKV-NJSKGKFKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
4.99
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 7.43 | 7.25 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 37.0 | nM | 7.43 | Compound was tested for inhibitory activity against Human immunodeficiency virus... | - |
| Human immunodeficiency virus type 1 protease | IC50 | = | 86.0 | nM | 7.07 | Inhibition of HIV-1 protease | 9258349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)80025-1 | Human immunodeficiency virus type 1 protease | 1 |
| 9258349 | 10.1021/jm970195u | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine