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Compound Detail

CHEMBL241574

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

Basic Information

ChEMBL ID CHEMBL241574
Phase Preclinical
Structure Type MOL
InChI Key PBXZTQPGHASCNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
3.37
ALogP
8
HBA
0
HBD
131.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O8
MW 362.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.55

Literature References

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

Data from ChEMBL 36 via Core Engine