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Compound Detail

CHEMBL280938

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CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280938
Phase Preclinical
Structure Type MOL
InChI Key NKSWFUKRMNESOJ-DYUFUIGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

620.8
MW (Da)
3.19
ALogP
7
HBA
4
HBD
151.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H44N4O7
MW 620.75
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
10197965 10.1021/jm9805384 Human rhinovirus A protease 3
10197965 10.1021/jm9805384 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine