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Compound Detail

CHEMBL1159926

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C[C@H](NC(=O)[C@H](Cc1ccccc1)CP(=O)(O)C(N)Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159926
Phase Preclinical
Structure Type MOL
InChI Key DCCFKHXJJKUJCT-APBAKZIRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
2.23
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N2O5P
MW 418.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.10

Activity Summary

Ki 2 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
 Ki 7.76 7.76 17.3 1
Neprilysin
CHEMBL3768
 Ki 6.73 6.73 185.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 17.3 nM 7.76 Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. 10753476
Neprilysin Ki = 185.0 nM 6.73 Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. 10753476

Literature References

PubMed DOI Target Context # Activities
10753476 10.1021/jm990483l Aminopeptidase N 1
10753476 10.1021/jm990483l Neprilysin 1

Data from ChEMBL 36 via Core Engine