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Compound Detail

CHEMBL3305622

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O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3305622
Phase Preclinical
Structure Type MOL
InChI Key JUPRFRWIJOHBKX-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.45
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.94
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 C17H19N3O2S
MW 329.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine