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Compound Detail

CHEMBL33595

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CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33595
Phase Preclinical
Structure Type MOL
InChI Key QZXRJOBOGZJFGA-JSAVKQRWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.31
ALogP
4
HBA
0
HBD
50.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4O2+2
MW 314.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
8182702 10.1021/jm00036a008 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine