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Compound Detail

CHEMBL239426

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C[N+]1(CC#CCN2OCCC2=O)CCCCC1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239426
Phase Preclinical
Structure Type MOL
InChI Key RCJNXRPBKFVTAD-UHFFFAOYSA-M
Parent Compound CHEMBL1182458
Active Moiety CHEMBL1182458
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
0.78
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.52
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 C13H21IN2O2
MW 364.23
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.08

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