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Compound Detail

CHEMBL3937447

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COc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3937447
Phase Preclinical
Structure Type MOL
InChI Key XZJIQYBETARUOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.05
ALogP
5
HBA
2
HBD
112.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O5S
MW 361.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.47

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