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Compound Detail

CHEMBL361064

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O=C(N1CCOCC1)C1(c2ccccc2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361064
Phase Preclinical
Structure Type MOL
InChI Key KSXVHBMVDLMAQG-UHFFFAOYSA-N

Known Names

NCI-163376
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

274.4
MW (Da)
1.17
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2O2
MW 274.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.94

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481972 10.1021/jm049934e Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine