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Compound Detail

CHEMBL395114

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C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395114
Phase Preclinical
Structure Type MOL
InChI Key ZFUPDDZDHCMCPS-UHFFFAOYSA-M
Parent Compound CHEMBL1185169
Active Moiety CHEMBL1185169
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
1.35
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.60
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 C16H19IN2O2
MW 398.24
Aromatic Rings 1
Heavy Atoms 20
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