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

CHEMBL96542

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
CN1CCN(C2CCCc3nc4ccccc4c(N)c32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96542
Phase Preclinical
Structure Type MOL
InChI Key PIZFVXBKRSWNLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
2.44
ALogP
4
HBA
1
HBD
45.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N4
MW 296.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80765-4 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine