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Compound Detail

CHEMBL397538

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O=C(O)C(=O)O.O=C1CCON1CC#CCN1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397538
Phase Preclinical
Structure Type MOL
InChI Key KIEYYLCKBCZAER-UHFFFAOYSA-N
Parent Compound CHEMBL1185199
Active Moiety CHEMBL1185199
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
1.21
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.76
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 C18H20N2O6
MW 360.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.72

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