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Compound Detail

CHEMBL1951862

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COc1cc(-c2ccc([N+](=O)[O-])c(O)c2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951862
Phase Preclinical
Structure Type MOL
InChI Key URUGBHQRCUODRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.52
ALogP
5
HBA
1
HBD
85.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O4
MW 296.28
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
22192055 10.1021/jm2012563 HT-22 2
22192055 10.1021/jm2012563 PC-12 1
22192055 10.1021/jm2012563 N9 1
22192055 10.1021/jm2012563 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine