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Compound Detail

CHEMBL3039798

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S=C(S)OCCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039798
Phase Preclinical
Structure Type MOL
InChI Key JRLFVFPSNJDVJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

199.3
MW (Da)
1.86
ALogP
3
HBA
1
HBD
22.1
PSA (Ų)
0.59
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 C8H9NOS2
MW 199.30
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine