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Compound Detail

CHEMBL1828833

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O=C(O)CCCCOc1ccc(/N=N/c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828833
Phase Preclinical
Structure Type MOL
InChI Key FTWMBTQFTNWFEU-VHEBQXMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
4.74
ALogP
4
HBA
1
HBD
71.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
21889235 10.1016/j.ejmech.2011.08.022 Peroxisome proliferator-activated receptor alpha 2
21889235 10.1016/j.ejmech.2011.08.022 Unchecked 1

Data from ChEMBL 36 via Core Engine