Compound Detail
CHEMBL511248
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(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS
Basic Information
| ChEMBL ID | CHEMBL511248 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IIYVNOZPCHEIKT-DSYPUSFNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
582.7
MW (Da)
-2.00
ALogP
11
HBA
8
HBD
232.0
PSA (Ų)
0.05
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of calpain-10 in rabbit mitochondrial matrix fractions by spectrofluo... | 19072163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072163 | 10.1021/jm800735d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine