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Compound Detail

CHEMBL1205487

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Cn1nnc(C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205487
Phase Preclinical
Structure Type MOL
InChI Key VJPNGPAOORMBST-MMKWGKFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
2.59
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.42
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 C23H22F2N4O4
MW 456.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine