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Compound Detail

CHEMBL4595423

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O=S(=O)(/C=C/c1ncccc1Cl)c1ccc(OCCCN2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595423
Phase Preclinical
Structure Type MOL
InChI Key UJNUNCCFZVQEKS-LZYBPNLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
3.28
ALogP
6
HBA
0
HBD
68.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN2O4S
MW 422.93
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine