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Compound Detail

CHEMBL257927

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CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257927
Phase Preclinical
Structure Type MOL
InChI Key KHJXRHZIOOPXNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.2
MW (Da)
1.03
ALogP
5
HBA
0
HBD
100.8
PSA (Ų)
0.35
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 C13H11N3O5
MW 289.25
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
18343108 10.1016/j.bmcl.2008.02.066 Unchecked 1
18343108 10.1016/j.bmcl.2008.02.066 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine