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Compound Detail

CHEMBL1207084

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COc1ccc(-c2c(-c3ccccc3)sc(C(C)C)c2/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207084
Phase Preclinical
Structure Type MOL
InChI Key KUSQOVJFJSSLFT-OKYCLFFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.81
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30O5S
MW 466.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.37

Data from ChEMBL 36 via Core Engine