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Compound Detail

CHEMBL241576

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O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241576
Phase Preclinical
Structure Type MOL
InChI Key YBKJMGFJIDWDDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.2
MW (Da)
2.70
ALogP
7
HBA
2
HBD
153.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8N2O8
MW 320.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.50

Literature References

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

Data from ChEMBL 36 via Core Engine