Compound Detail
CHEMBL422381
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CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL422381 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MVRMGXZMISUFHD-CMOCDZPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
579.6
MW (Da)
-0.37
ALogP
8
HBA
8
HBD
237.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1.2 | nM | 8.92 | Inhibition of VEGF-stimulated migration of human microvascular endothelial cells | 15013002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013002 | 10.1016/j.bmcl.2003.12.034 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine