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Compound Detail

CHEMBL3969855

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O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3)cc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3969855
Phase Preclinical
Structure Type MOL
InChI Key CKCICUDDIJJRJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
1.02
ALogP
4
HBA
3
HBD
111.9
PSA (Ų)
0.63
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 C14H11N3O4S
MW 317.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
27933949 10.1021/acs.jmedchem.6b01161 Unchecked 3
27933949 10.1021/acs.jmedchem.6b01161 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine