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Compound Detail

CHEMBL3144020

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O=C(OC[C@H]1O[C@@H](C2=NNC3C(=O)N=CN=C23)[C@H](O)[C@@H]1O)c1ccc(S(=O)(=O)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144020
Phase Preclinical
Structure Type MOL
InChI Key XUXJHIUDMHCBDU-GIOWIFKZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
-1.67
ALogP
11
HBA
3
HBD
176.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN4O8S
MW 454.39
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
8478902 10.1021/jm00060a010 Purine nucleoside phosphorylase 1

Data from ChEMBL 36 via Core Engine