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Compound Detail

CHEMBL2442050

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CCN(C(=O)c1ccccc1OCc1ccccc1)C1CCCC(N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442050
Phase Preclinical
Structure Type MOL
InChI Key FXOYOOYJFZTVMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
4.00
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O2
MW 352.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
24080460 10.1016/j.bmcl.2013.09.016 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine