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Compound Detail

CHEMBL71427

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CCCc1nc2c(C)ccc(O)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71427
Phase Preclinical
Structure Type MOL
InChI Key VWVMQRLXQMVRKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
2.53
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2O
MW 190.25
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
3681891 10.1021/jm00395a007 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine