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Compound Detail

CHEMBL16791

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CC(C)CCNC(=O)CNC(=O)C(CC(=O)NO)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16791
Phase Preclinical
Structure Type MOL
InChI Key QOAFLPMTBHCDPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.02
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.37
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 C18H27N3O4
MW 349.43
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 600.0 nM 6.22 In vitro inhibition of enkephalinase purified from rat kidney. 3897541

Literature References

PubMed DOI Target Context # Activities
3897541 10.1021/jm00147a007 Neprilysin 1

Data from ChEMBL 36 via Core Engine