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Compound Detail

CHEMBL1801408

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O=C(O)COc1cc(OCc2ccccc2)ccc1/C=C1\SC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801408
Phase Preclinical
Structure Type MOL
InChI Key HJWVWLYWCSVNKP-PXNMLYILSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.05
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO6S
MW 385.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20850970 10.1016/j.bmcl.2010.08.130 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine