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Compound Detail

CHEMBL167971

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O=c1[nH]c(=O)n(C2CCC(CO)O2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL167971
Phase Preclinical
Structure Type MOL
InChI Key IVRKKCRUCYZZTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
-0.65
ALogP
5
HBA
2
HBD
84.3
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 C9H11FN2O4
MW 230.19
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.43

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