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Compound Detail

CHEMBL169850

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CN1C(=O)CCC1C#CC[N+](C)(C)C.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169850
Phase Preclinical
Structure Type MOL
InChI Key XFYFKJCBVHCUGA-UHFFFAOYSA-M
Parent Compound CHEMBL1181410
Active Moiety CHEMBL1181410
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
0.32
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H19IN2O
MW 322.19
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.30

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
2704032 10.1021/jm00124a022 Cavia porcellus 3
2704032 10.1021/jm00124a022 Mus musculus 1
2704032 10.1021/jm00124a022 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine