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Compound Detail

CHEMBL96406

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CC1=NC2CCCc3nc4ccccc4c(c32)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96406
Phase Preclinical
Structure Type MOL
InChI Key SJZMSTAIWFGFOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.46
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3
MW 237.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.18

Literature References

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

Data from ChEMBL 36 via Core Engine