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Compound Detail

CHEMBL1812153

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c1cc2c3c(cc4nccnc4c3c1)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812153
Phase Preclinical
Structure Type MOL
InChI Key INPNKCRIQHJUDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
2.72
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O
MW 222.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
21600681 10.1016/j.ejmech.2011.04.059 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine