Compound Detail
CHEMBL455734
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@H](NC(=O)N(C)Cc1ccccn1)C(=O)NC(Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL455734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPVWMQXBTCSLCB-NALTUBGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
795.0
MW (Da)
3.69
ALogP
8
HBA
6
HBD
189.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protease | Ki | = | 1100.0 | nM | 5.96 | Inhibition of HIV1 protease | 18578469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578469 | 10.1021/jm800242q | Protease | 1 |
Data from ChEMBL 36 via Core Engine