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Compound Detail

CHEMBL2079115

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CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccs2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079115
Phase Preclinical
Structure Type MOL
InChI Key ITWQGAPFOXIIFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.17
ALogP
5
HBA
1
HBD
51.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O2S2
MW 332.45
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine