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Compound Detail

CHEMBL5205902

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COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205902
Phase Preclinical
Structure Type MOL
InChI Key CJIMBEIWORBBOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
3.60
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO3
MW 293.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
34767347 10.1021/acs.jmedchem.1c01078 Cysteinyl leukotriene receptor 1 2
34767347 10.1021/acs.jmedchem.1c01078 G-protein coupled bile acid receptor 1 2

Data from ChEMBL 36 via Core Engine