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Compound Detail

CHEMBL1206866

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Cn1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206866
Phase Preclinical
Structure Type MOL
InChI Key SOQGKEBESUFIIN-KRMGUPMMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
2.75
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.33
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 C24H22F2N4O4
MW 468.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine