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Compound Detail

CHEMBL2058977

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C=CCC12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccc(C(C)C)cc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2058977
Phase Preclinical
Structure Type MOL
InChI Key JRAZHHOUMDIHEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
5.35
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3O2
MW 405.54
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
22831800 10.1016/j.bmc.2012.06.048 Butyrylcholinesterase 2
22831800 10.1016/j.bmc.2012.06.048 Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine