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Compound Detail

CHEMBL5193617

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COC(=O)c1cc(O)cc(OCc2ccc3ccccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5193617
Phase Preclinical
Structure Type MOL
InChI Key SOVSKPXDTFLBRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
3.31
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4
MW 309.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.38

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