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Compound Detail

CHEMBL211246

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O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2[nH]cnc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211246
Phase Preclinical
Structure Type MOL
InChI Key JKRNBJZHIMUSKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.31
ALogP
4
HBA
3
HBD
87.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O3
MW 345.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
16854082 10.1021/jm060408s Parastagonospora nodorum 2
16854082 10.1021/jm060408s Mitochondrial complex II; succinate dehydrogenase 2

Data from ChEMBL 36 via Core Engine