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Compound Detail

CHEMBL238802

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COc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238802
Phase Preclinical
Structure Type MOL
InChI Key UUGBFMDNZSIJNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.2
MW (Da)
3.12
ALogP
7
HBA
0
HBD
121.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O7
MW 318.24
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
17948976 10.1021/jm0700159 Transthyretin 2

Data from ChEMBL 36 via Core Engine