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Compound Detail

CHEMBL373536

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COC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373536
Phase Preclinical
Structure Type MOL
InChI Key MVIADHRXMRMHJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.79
ALogP
4
HBA
1
HBD
76.2
PSA (Ų)
0.75
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 C16H13NO4S
MW 315.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
15566282 10.1021/jm049360d Tubulin 2
15566282 10.1021/jm049360d MCF7 1

Data from ChEMBL 36 via Core Engine