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Compound Detail

CHEMBL294760

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O=C(OCc1ccccc1)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CS)CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294760
Phase Preclinical
Structure Type MOL
InChI Key GXMWVVKYMVCKFI-ALLRNTDFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
4.27
ALogP
5
HBA
3
HBD
75.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO4S
MW 475.61
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.04

Activity Summary

Ki 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 Ki 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin Ki = 0.5 nM 9.3 Inhibition of neutral endopeptidase (NEP). -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00367-8 Neprilysin 1

Data from ChEMBL 36 via Core Engine