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Compound Detail

CHEMBL1744144

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CCOP(=O)(CNC(C)=O)NC(Cc1ccccc1)NC(CCSC)C(=O)[O-].[Li+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744144
Phase Preclinical
Structure Type MOL
InChI Key YTUPBIMAISPSGI-UHFFFAOYSA-M
Parent Compound CHEMBL418183
Active Moiety CHEMBL418183
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
2.26
ALogP
6
HBA
4
HBD
116.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29LiN3O5PS
MW 437.43
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.19

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
2993614 10.1021/jm00147a015 Neprilysin 1
2993614 10.1021/jm00147a015 Angiotensin-converting enzyme 2 1
2993614 10.1021/jm00147a015 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine