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Compound Detail

CHEMBL205899

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O=[N+]([O-])c1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1

Basic Information

ChEMBL ID CHEMBL205899
Phase Preclinical
Structure Type MOL
InChI Key OYPMHQIMQGZDHK-CRQXNEITSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
4.79
ALogP
4
HBA
0
HBD
86.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O4
MW 322.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.20

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16640346 10.1021/jm051020k Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine