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Compound Detail

CHEMBL1205803

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CC(C)c1sc(-c2ccccc2)c(-c2cccc(F)c2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205803
Phase Preclinical
Structure Type MOL
InChI Key ZVFVFQUUSPECBX-LKWCPCFXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.94
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27FO4S
MW 454.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine