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Compound Detail

CHEMBL2220913

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N[C@H]1CCc2ccccc2[C@H](SCc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220913
Phase Preclinical
Structure Type MOL
InChI Key CUHYFQKJGIITQW-WMZOPIPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.50
ALogP
3
HBA
1
HBD
43.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NOS
MW 297.42
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine