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Compound Detail

CHEMBL96212

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CCOP(=O)(/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96212
Phase Preclinical
Structure Type MOL
InChI Key XTXFNVYZGUITHH-NBDRGCJVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

658.7
MW (Da)
4.59
ALogP
8
HBA
4
HBD
175.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H47N4O8P
MW 658.73
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
9667970 10.1021/jm980068d Human rhinovirus A protease 2
9667970 10.1021/jm980068d HeLa 2

Data from ChEMBL 36 via Core Engine