Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2058978

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CCC12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2058978
Phase Preclinical
Structure Type MOL
InChI Key KTMFZMIKCHNZLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
4.99
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24BrN3O2
MW 442.36
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.32

Literature References

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

Data from ChEMBL 36 via Core Engine