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Compound Detail

CHEMBL3558116

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

Basic Information

ChEMBL ID CHEMBL3558116
Phase Preclinical
Structure Type MOL
InChI Key WXRVOEDXNPHXRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
3.15
ALogP
10
HBA
2
HBD
144.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN8O3PS
MW 512.47
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.59

Data from ChEMBL 36 via Core Engine