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Compound Detail

CHEMBL3040344

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CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040344
Phase Preclinical
Structure Type MOL
InChI Key LKXLPBCYQGOVBH-MMKWGKFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.80
ALogP
6
HBA
3
HBD
108.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26FN3O4
MW 439.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine