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Compound Detail

CHEMBL31385

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C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)CCC1=O)CCCN1C(=O)CCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31385
Phase Preclinical
Structure Type MOL
InChI Key JDYUFXPBIIOMLI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.7
MW (Da)
2.17
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.20
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H46N4O4+2
MW 466.67
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness -0.10

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12672239 10.1021/jm021077w Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine