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Compound Detail

CHEMBL258938

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O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(=O)C2=C(CCCC2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258938
Phase Preclinical
Structure Type MOL
InChI Key ULDBILQQZDKBPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.17
ALogP
5
HBA
1
HBD
106.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O5
MW 314.30
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
18226531 10.1016/j.bmc.2007.12.031 Potassium voltage-gated channel subfamily A member 1 3
18226531 10.1016/j.bmc.2007.12.031 Voltage-gated potassium channel subfamily A member 1/beta-1 1
18226531 10.1016/j.bmc.2007.12.031 A-type voltage-gated potassium channel KCND2 1
18226531 10.1016/j.bmc.2007.12.031 Mus musculus 1

Data from ChEMBL 36 via Core Engine