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Compound Detail

CHEMBL1916517

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CN(C)CC1CC(c2ccc([N+](=O)[O-])cc2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1916517
Phase Preclinical
Structure Type MOL
InChI Key FUKODXXKPDODID-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
1.65
ALogP
5
HBA
0
HBD
68.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O3
MW 249.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.30

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21958292 10.1021/jm2010404 DNA (cytosine-5)-methyltransferase 1 5
21958292 10.1021/jm2010404 HCT-116 1
25406944 10.1021/jm500843d DNA (cytosine-5)-methyltransferase 1 1

Data from ChEMBL 36 via Core Engine