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Compound Detail

CHEMBL19407

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O=[N+]([O-])c1ccc(N(CCO)CCO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19407
Phase Preclinical
Structure Type MOL
InChI Key CDEQUHCAZLSDTD-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
0.39
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.54
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 C10H14N2O4
MW 226.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.33

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
1507207 10.1021/jm00095a018 ADMET 3
2296009 10.1021/jm00163a019 ADMET 1

Data from ChEMBL 36 via Core Engine