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Compound Detail

CHEMBL611808

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CC1=CC2Cc3nc(O)ccc3C3(C1)C2CCCN3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611808
Phase Preclinical
Structure Type MOL
InChI Key JCINWKNLTDEYIA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
2.85
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O
MW 270.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
12182861 10.1016/s0960-894x(02)00482-1 Felis catus 5
12182861 10.1016/s0960-894x(02)00482-1 Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine