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Compound Detail

CHEMBL1207115

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Cc1c(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207115
Phase Preclinical
Structure Type MOL
InChI Key IDWYYPAGRYYRQC-OKRGKCMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
5.32
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.41
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 C27H30FNO4
MW 451.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine