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Compound Detail

CHEMBL436313

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NCCNCc1c(O)ccc2ccc(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436313
Phase Preclinical
Structure Type MOL
InChI Key PIRHQZKETDGNCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.2
MW (Da)
0.55
ALogP
5
HBA
3
HBD
88.5
PSA (Ų)
0.53
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 C12H14N2O3
MW 234.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
16190766 10.1021/jm0580149 Molecular identity unknown 3
16190766 10.1021/jm0580149 Rattus norvegicus 1
16190766 10.1021/jm0580149 Seed linoleate 13S-lipoxygenase-1 1

Data from ChEMBL 36 via Core Engine