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Compound Detail

CHEMBL96196

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c1ccc(C2=NC3CCCc4nc5ccccc5c(c43)N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96196
Phase Preclinical
Structure Type MOL
InChI Key CJBUKDOMILOKST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.72
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 C20H17N3
MW 299.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.23

Literature References

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

Data from ChEMBL 36 via Core Engine