Compound Detail
CHEMBL443987
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N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL443987 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SYHCWWFUOPZTDO-KEOOTSPTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
753.9
MW (Da)
-3.15
ALogP
12
HBA
14
HBD
343.0
PSA (Ų)
0.02
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 290.0 | nM | 6.54 | 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