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Compound Detail

CHEMBL239438

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C(#CCN1CCc2ccccc21)COC1=NOCC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239438
Phase Preclinical
Structure Type MOL
InChI Key XZJDYHQISGVXOM-UHFFFAOYSA-N
Parent Compound CHEMBL1182461
Active Moiety CHEMBL1182461
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
1.80
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17ClN2O2
MW 292.77
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
17889543 10.1016/j.bmc.2007.09.003 Muscarinic acetylcholine receptor M2 1
17889543 10.1016/j.bmc.2007.09.003 Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine