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Compound Detail

CHEMBL3558113

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CSc1nccc(-c2c(-c3ccc(F)cc3)nc3nc(-c4cn(CC(=O)O)nn4)ccn23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558113
Phase Preclinical
Structure Type MOL
InChI Key QDWFTFYNOPLJTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
3.06
ALogP
10
HBA
1
HBD
124.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN8O2S
MW 462.47
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.80

Data from ChEMBL 36 via Core Engine