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Compound Detail

CHEMBL4597542

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NCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597542
Phase Preclinical
Structure Type MOL
InChI Key UKOCPCYQDHAWAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.23
ALogP
6
HBA
1
HBD
78.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O2S2
MW 319.41
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.20

Data from ChEMBL 36 via Core Engine