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Compound Detail

CHEMBL3093011

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NS(=O)(=O)NCC1Oc2ccc(Cl)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093011
Phase Preclinical
Structure Type MOL
InChI Key IRDBQQDMRPLJFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.7
MW (Da)
0.23
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.82
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 C8H9ClN2O4S
MW 264.69
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
24205976 10.1021/jm400894u Mus musculus 2
24205976 10.1021/jm400894u Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine