Compound Detail
CHEMBL176441
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CC(=O)N[C@H](CCCCN)C(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL176441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEGKOOWUHRNPBO-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
-0.08
ALogP
6
HBA
6
HBD
187.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 0.01 | nM | 11.0 | 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