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Compound Detail

CHEMBL111497

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CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(CCO)CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111497
Phase Preclinical
Structure Type MOL
InChI Key JJAWRVIVRNTEFE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
-0.32
ALogP
7
HBA
3
HBD
119.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N4O5
MW 340.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.61

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