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Compound Detail

CHEMBL239657

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C(#CCN1C2CCCC1CC2)CC1=NOCC1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239657
Phase Preclinical
Structure Type MOL
InChI Key UNPDBAGHKCDELW-UHFFFAOYSA-N
Parent Compound CHEMBL1182467
Active Moiety CHEMBL1182467
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.17
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.68
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 C16H22N2O5
MW 322.36
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.04

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