Compound Detail
CHEMBL4590563
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N/C(=N\O)c1cccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4590563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUXLFARROHDVQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
2.84
ALogP
5
HBA
5
HBD
137.0
PSA (Ų)
0.10
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 7.43 | 7.43 | 37.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 37.3 | nM | 7.43 | Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) ce... | 31251594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31251594 | 10.1021/acs.jmedchem.9b00757 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine