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Compound Detail

CHEMBL3040075

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Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040075
Phase Preclinical
Structure Type MOL
InChI Key TUMBKYLZWRRFED-RKQNLGICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.92
ALogP
4
HBA
3
HBD
90.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FNO4
MW 387.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine