Compound Detail
CHEMBL461196
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C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL461196 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PKFDOSZODWQLME-BJDJZHNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
-2.93
ALogP
8
HBA
8
HBD
205.7
PSA (Ų)
0.10
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | 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