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Compound Detail

CHEMBL1159932

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CC(C)c1ccc(C[C@H](CP(=O)(O)C(C)N)C(=O)N[C@@H](C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159932
Phase Preclinical
Structure Type MOL
InChI Key CUZVLZFRSCFAGJ-GMRULEOSSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.13
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29N2O5P
MW 384.41
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.01

Activity Summary

Ki 2 meas. best 7.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
 Ki 7.94 7.94 11.4 1
Neprilysin
CHEMBL3768
 Ki 7.81 7.81 15.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 11.4 nM 7.94 Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. 10753476
Neprilysin Ki = 15.5 nM 7.81 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