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Compound Detail

CHEMBL2064467

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c1ccc2c(NCCN3CCN(CCCN4CCCCC4)CC3)c3c(nc2c1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2064467
Phase Preclinical
Structure Type MOL
InChI Key MWMSOQAYRWQUFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.7
MW (Da)
4.02
ALogP
5
HBA
1
HBD
34.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H41N5
MW 435.66
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
22818849 10.1016/j.ejmech.2012.06.051 Acetylcholinesterase 3
22818849 10.1016/j.ejmech.2012.06.051 Cholinesterases; ACHE & BCHE 1
22818849 10.1016/j.ejmech.2012.06.051 Cholinesterase 1

Data from ChEMBL 36 via Core Engine