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Compound Detail

CHEMBL281395

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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)SC1CCCC1)Cc1ccc(C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281395
Phase Preclinical
Structure Type MOL
InChI Key IJNDNRYJEVFBAJ-OJSCLXAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

635.8
MW (Da)
4.98
ALogP
7
HBA
3
HBD
144.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H45N3O6S
MW 635.83
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
10197964 10.1021/jm980537b Human rhinovirus A protease 2
10197964 10.1021/jm980537b NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine