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Compound Detail

CHEMBL4595674

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CCc1nc(N)[nH]c1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595674
Phase Preclinical
Structure Type MOL
InChI Key AFTOBIAKNPTOEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.42
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O3S
MW 396.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine