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Compound Detail

CHEMBL238801

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

Basic Information

ChEMBL ID CHEMBL238801
Phase Preclinical
Structure Type MOL
InChI Key YXGMDKNWHSNHKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
2.89
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.67
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 C14H13NO5
MW 275.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.46

Literature References

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

Data from ChEMBL 36 via Core Engine