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Compound Detail

CHEMBL165292

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O=c1c2ccc(Cl)cc2nc2n1CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165292
Phase Preclinical
Structure Type MOL
InChI Key GXAOGWQBVDMAMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.7
MW (Da)
2.78
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.72
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 C13H13ClN2O
MW 248.71
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00102-3 Acetylcholinesterase 2
15317459 10.1021/jm049877p Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine