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Compound Detail

CHEMBL1834076

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CC(C)(C)OC(=O)N1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834076
Phase Preclinical
Structure Type MOL
InChI Key ZSZJENSOCJBMJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
4.74
ALogP
6
HBA
1
HBD
70.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O2
MW 445.57
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
21873056 10.1016/j.bmcl.2011.07.091 Acetylcholinesterase 2
21873056 10.1016/j.bmcl.2011.07.091 Cholinesterase 1
21873056 10.1016/j.bmcl.2011.07.091 Unchecked 1

Data from ChEMBL 36 via Core Engine