Compound Detail
CHEMBL5641709
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)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5641709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOGHGBCRVSBUHH-GOYXDOSHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
-2.09
ALogP
8
HBA
7
HBD
237.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
IC50 1 meas. best 7.32
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | Ki | = | 1.0 | nM | 9.0 | Affinity Biochemical interaction: (enzymatic assay (fluorogenic substrate cleava... | - |
| Caspase-2 | Ki | = | 3.5 | nM | 8.46 | Affinity Biochemical interaction: (enzymatic assay (fluorogenic substrate cleava... | - |
| Caspase-7 | Ki | = | 7.5 | nM | 8.12 | Affinity Biochemical interaction: (enzymatic assay (fluorogenic substrate cleava... | - |
| Caspase-2 | IC50 | = | 47.86 | nM | 7.32 | Inhibition of recombinant cp-caspase-2 (unknown origin) using Z-VDVAD-AFC as sub... | 37453329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724709 | HEK-293T | 2 |
| - | 10.6019/CHEMBL5724709 | U2OS | 2 |
| - | 10.6019/CHEMBL5724709 | Fibroblast | 2 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| 37453329 | 10.1016/j.ejmech.2023.115632 | Caspase-2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5723035 | Caspase-7 | 1 |
| - | 10.6019/CHEMBL5723035 | Caspase-3 | 1 |
| - | 10.6019/CHEMBL5723035 | Caspase-2 | 1 |
Data from ChEMBL 36 via Core Engine