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Compound Detail

CHEMBL3673257

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CC(C)(C)OC(=O)C[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3673257
Phase Preclinical
Structure Type MOL
InChI Key VUAFUTLGMQEWHT-RDRICISKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.60
ALogP
6
HBA
1
HBD
98.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29NO6S
MW 411.52
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine