Compound Detail
CHEMBL4216408
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C[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)CP(=O)(O)C(N)Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4216408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQKFQKJKRAJFTH-CTGOOGPZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
3.85
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Glutamyl aminopeptidase CHEMBL3439 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 1.5 | nM | 8.82 | Inhibition of APN in porcine kidney using Ala-p-NA as substrate | 29630364 |
| Glutamyl aminopeptidase | Ki | = | 40000.0 | nM | 4.4 | Inhibition of APA (unknown origin) using GluNA as substrate | 29630364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29630364 | 10.1021/acs.jmedchem.7b00782 | Aminopeptidase N | 1 |
| 29630364 | 10.1021/acs.jmedchem.7b00782 | Glutamyl aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine