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Compound Detail

CHEMBL468603

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CN(Cc1ccccc1)C1CCC(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468603
Phase Preclinical
Structure Type MOL
InChI Key UFCRCJHXSYFSGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
3.84
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO
MW 265.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
18406013 10.1016/j.ejmech.2008.02.009 Mast cell 2

Data from ChEMBL 36 via Core Engine