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Compound Detail

CHEMBL1852592

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C=CCC1=C(OCc2cc3ccccc3s2)[C@@H](O)[C@H](O)C[C@]1(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852592
Phase Preclinical
Structure Type MOL
InChI Key LHGICBRRMGEZTJ-SIXWZSSISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
2.19
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O6S
MW 376.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine