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Compound Detail

CHEMBL2035445

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Cc1ccc(S(=O)(=O)n2cc(C(N)=O)cc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2035445
Phase Preclinical
Structure Type MOL
InChI Key VWOITJHVVGZHRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.80
ALogP
4
HBA
1
HBD
82.2
PSA (Ų)
0.79
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 C18H16N2O3S
MW 340.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
22579619 10.1016/j.bmc.2012.04.014 Unchecked 1
22579619 10.1016/j.bmc.2012.04.014 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine