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Compound Detail

CHEMBL117696

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O=[N+]([O-])c1cccc2c(NCc3ccccc3)ncnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117696
Phase Preclinical
Structure Type MOL
InChI Key YPNFBKKXWWCFEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.15
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.59
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 C15H12N4O2
MW 280.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
7658435 10.1021/jm00018a008 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine