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Compound Detail

CHEMBL126097

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Nc1cc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126097
Phase Preclinical
Structure Type MOL
InChI Key WHFXKHSZKZPINP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.13
ALogP
7
HBA
2
HBD
119.9
PSA (Ų)
0.56
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 C14H12N6O2
MW 296.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
7562908 10.1021/jm00019a007 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine