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Compound Detail

CHEMBL3359597

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C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359597
Phase Preclinical
Structure Type MOL
InChI Key NYVTVOQPSVCFEJ-OULXEKPRSA-M
Parent Compound CHEMBL3558576
Active Moiety CHEMBL3558576
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

174.3
MW (Da)
0.50
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.57
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 C9H20INO2
MW 301.17
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M1 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M2 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M3 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M4 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine