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Compound Detail

CHEMBL3039777

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CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039777
Phase Preclinical
Structure Type MOL
InChI Key FMCKOMPEFSASBD-TYFAACHXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.9
MW (Da)
5.42
ALogP
4
HBA
3
HBD
90.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClFNO4
MW 457.93
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine