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Compound Detail

CHEMBL2333848

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C=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333848
Phase Preclinical
Structure Type MOL
InChI Key PDHMKJCVJSEPEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
1.61
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.66
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 C14H16N2O
MW 228.29
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.92

Literature References

PubMed DOI Target Context # Activities
23395652 10.1016/j.bmcl.2012.11.083 Cavia porcellus 6
23395652 10.1016/j.bmcl.2012.11.083 Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine