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Compound Detail

CHEMBL191219

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O=C1CN(c2cccc(-c3ccccc3)c2)S(=O)(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191219
Phase Preclinical
Structure Type MOL
InChI Key DSQVFMWKEDOHMM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
1.53
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O3S
MW 288.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15863305 10.1016/j.bmcl.2005.03.068 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine