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Compound Detail

CHEMBL2263550

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CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2263550
Phase Preclinical
Structure Type MOL
InChI Key KVXQWMJSDDXKAV-XFFZJAGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
1.87
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.86
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 C14H14N2O4S
MW 306.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9428-9 Peroxisome proliferator-activated receptor gamma 1
34826680 10.1016/j.bmc.2021.116518 Unchecked 1

Data from ChEMBL 36 via Core Engine