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Compound Detail

CHEMBL2115012

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Nc1nc(=O)n([C@H]2CC[C@H](CO)O2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115012
Phase Preclinical
Structure Type MOL
InChI Key QBEIABZPRBJOFU-IYSWYEEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
-0.37
ALogP
6
HBA
2
HBD
90.4
PSA (Ų)
0.72
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 C9H12FN3O3
MW 229.21
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
8145230 10.1021/jm00032a013 MT2 1
8145230 10.1021/jm00032a013 Hepatoma cell line 1
8145230 10.1021/jm00032a013 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine