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Compound Detail

CHEMBL4169360

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COCOc1ccc(/C=C2\Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169360
Phase Preclinical
Structure Type MOL
InChI Key OZOYLLSXMPUTOE-DEDYPNTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
4.98
ALogP
6
HBA
0
HBD
87.9
PSA (Ų)
0.22
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 C25H21NO6
MW 431.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
29689475 10.1016/j.ejmech.2018.04.030 Interleukin-5 2

Data from ChEMBL 36 via Core Engine