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Compound Detail

CHEMBL543345

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Cl.Nc1ccn(C2OC(CO)CC2F)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543345
Phase Preclinical
Structure Type MOL
InChI Key GTIAGJXOCVEQOT-UHFFFAOYSA-N
Parent Compound CHEMBL45147
Active Moiety CHEMBL45147
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
-0.56
ALogP
6
HBA
2
HBD
90.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13ClFN3O3
MW 265.67
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.97

Literature References

PubMed DOI Target Context # Activities
2165161 10.1021/jm00170a015 C8166 1

Data from ChEMBL 36 via Core Engine