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Compound Detail

CHEMBL239865

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Cl.O=C1CCON1CC#CCN1C2CCCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239865
Phase Preclinical
Structure Type MOL
InChI Key AXPSYOWPCJWXDG-UHFFFAOYSA-N
Parent Compound CHEMBL1182471
Active Moiety CHEMBL1182471
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
1.17
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.69
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 C14H21ClN2O2
MW 284.79
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.17

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