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Compound Detail

CHEMBL5403853

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COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403853
Phase Preclinical
Structure Type MOL
InChI Key OFOOHWAJXHWPNV-FNORWQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
3.64
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12FNO4
MW 301.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
36610249 10.1016/j.ejmech.2022.115069 Glutathione reductase, mitochondrial 2
36610249 10.1016/j.ejmech.2022.115069 ADMET 1
36610249 10.1016/j.ejmech.2022.115069 HepG2 1
36610249 10.1016/j.ejmech.2022.115069 HeLa 1
36610249 10.1016/j.ejmech.2022.115069 A549 1
36610249 10.1016/j.ejmech.2022.115069 HCT-116 1
36610249 10.1016/j.ejmech.2022.115069 MCF7 1

Data from ChEMBL 36 via Core Engine