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Compound Detail

CHEMBL13172

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CC1(C)Cc2cc(F)ccc2C=[N+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13172
Phase Preclinical
Structure Type MOL
InChI Key WPNKCNQZYPYEBC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
2.09
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12FNO
MW 193.22
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00181-3 Liposome 1

Data from ChEMBL 36 via Core Engine