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Compound Detail

CHEMBL177646

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O=C(O)CCNC(=O)C(Cc1ccccc1)CP(=O)(O)OCCc1ccccc1.[Cl-].[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177646
Phase Preclinical
Structure Type MOL
InChI Key MYNJKHDWLQGTQW-UHFFFAOYSA-M
Parent Compound CHEMBL1206035
Active Moiety CHEMBL1206035
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
2.88
ALogP
4
HBA
3
HBD
112.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClKNO6P
MW 493.97
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
8120868 10.1021/jm00030a009 Neprilysin 1

Data from ChEMBL 36 via Core Engine