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Compound Detail

CHEMBL88228

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CC(=O)N(O)CC(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88228
Phase Preclinical
Structure Type MOL
InChI Key PANROGYPWFDFRW-VYCPFJESSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
2.43
ALogP
5
HBA
4
HBD
136.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N3O6
MW 497.59
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.05

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10698448 10.1016/s0960-894x(99)00671-x Angiotensin-converting enzyme 1
10698448 10.1016/s0960-894x(99)00671-x Neprilysin 1

Data from ChEMBL 36 via Core Engine