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Compound Detail

CHEMBL3558524

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

Basic Information

ChEMBL ID CHEMBL3558524
Phase Preclinical
Structure Type MOL
InChI Key XFEHAFSETWBAJC-PKTZIBPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.56
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.36
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 C28H31FO5
MW 466.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.07

Data from ChEMBL 36 via Core Engine