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Compound Detail

CHEMBL1727280

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CSc1ccc(OCC(=O)O)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1727280
Phase Preclinical
Structure Type MOL
InChI Key DJAIXSIYKNHEBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
2.18
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.78
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 C10H12O3S
MW 212.27
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine