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Compound Detail

CHEMBL433399

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CSc1cccc2c1N(C(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433399
Phase Preclinical
Structure Type MOL
InChI Key CIXXPKBNAXBWJH-AOXXHNHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

713.9
MW (Da)
4.67
ALogP
7
HBA
4
HBD
159.9
PSA (Ų)
0.12
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 C39H47N5O6S
MW 713.90
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -0.17

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