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Compound Detail

CHEMBL2333849

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C/C=C1\C2C=C(C)CC1(N)c1ccc(=O)n(C)c1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333849
Phase Preclinical
Structure Type MOL
InChI Key CCGXPNYSRAOOHL-UUILKARUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
2.01
ALogP
3
HBA
1
HBD
48.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O
MW 256.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.68

Literature References

PubMed DOI Target Context # Activities
23395652 10.1016/j.bmcl.2012.11.083 Cavia porcellus 14
23395652 10.1016/j.bmcl.2012.11.083 Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine