Compound Detail
CHEMBL3143737
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@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL3143737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRGMYFNMOQANPK-YYNHRMGXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
674.8
MW (Da)
0.15
ALogP
9
HBA
6
HBD
209.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 5.34 | 5.34 | 4520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 4520.0 | nM | 5.34 | Inhibition of HIV protease at pH 6.4, 37 degree C | 2184237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2184237 | 10.1021/jm00167a003 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine