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Compound Detail

CHEMBL2079381

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CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079381
Phase Preclinical
Structure Type MOL
InChI Key NETZTPGIWDIDKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.51
ALogP
5
HBA
1
HBD
64.0
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 C17H17N3O2S
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine