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Compound Detail

CHEMBL321681

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O=C(c1cc(N(CCO)CCO)ccc1[N+](=O)[O-])N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321681
Phase Preclinical
Structure Type MOL
InChI Key CCQJRJNXIZRUPM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
-0.14
ALogP
7
HBA
2
HBD
116.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O6
MW 339.35
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.70

Activity Summary

IC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine