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Compound Detail

CHEMBL4596922

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O=C(NCc1ncccc1F)c1coc(CCNCc2nc3ccccc3[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596922
Phase Preclinical
Structure Type MOL
InChI Key HWGQXMFEOIHQOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
2.35
ALogP
6
HBA
3
HBD
108.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN6O2
MW 394.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine