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Compound Detail

CHEMBL98300

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O=C1c2ccccc2S(=O)(=O)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98300
Phase Preclinical
Structure Type MOL
InChI Key BPCIWMIPHVSEJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.04
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO3S
MW 259.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80782-4 Bos taurus 1

Data from ChEMBL 36 via Core Engine