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Compound Detail

CHEMBL1205799

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Cc1ccc(-c2sc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205799
Phase Preclinical
Structure Type MOL
InChI Key MVSMTXJIJKVMLF-ITWZMISCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
6.25
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.35
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 C27H29FO4S
MW 468.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine