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Compound Detail

CHEMBL420669

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O=C(c1cc(N(CCO)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420669
Phase Preclinical
Structure Type MOL
InChI Key BUIRFOJTXNZBHN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
-0.23
ALogP
9
HBA
2
HBD
159.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O8
MW 384.35
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.48

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