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Compound Detail

CHEMBL433492

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

Basic Information

ChEMBL ID CHEMBL433492
Phase Preclinical
Structure Type MOL
InChI Key LWOYHHPBXORNSE-XEGCMXMBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
3.98
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO3S
MW 411.57
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.23

Activity Summary

Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 Ki 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin Ki = 2.0 nM 8.7 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