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Compound Detail

CHEMBL122094

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CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C(=O)O)c2ccc(OCc3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122094
Phase Preclinical
Structure Type MOL
InChI Key OVZREWHYLVGKFC-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
5.02
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O4
MW 468.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
8809164 10.1021/jm950699x Leukotriene B4 receptor 1
8809164 10.1021/jm950699x Leukotriene B4 receptor 1 1

Data from ChEMBL 36 via Core Engine