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Compound Detail

CHEMBL1632028

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O=C(O)CN1CN(Cc2ccccc2)S(=O)(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1632028
Phase Preclinical
Structure Type MOL
InChI Key GPIUWHBCCBMJNN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
1.74
ALogP
4
HBA
1
HBD
77.9
PSA (Ų)
0.92
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 C16H16N2O4S
MW 332.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21062005 10.1021/jm100962a Aldo-keto reductase family 1 member B1 2

Data from ChEMBL 36 via Core Engine