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Compound Detail

CHEMBL570031

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COc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570031
Phase Preclinical
Structure Type MOL
InChI Key VKRBYIUJUCWEEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.68
ALogP
5
HBA
1
HBD
93.8
PSA (Ų)
0.70
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 C15H11N3O4
MW 297.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
19651509 10.1016/j.bmcl.2009.03.004 Transthyretin 3

Data from ChEMBL 36 via Core Engine