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Compound Detail

CHEMBL12428

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CCCCCCCCCCCCCCCCCCOCC(O)COCCC[N+](C)(C)C.[OH-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12428
Phase Preclinical
Structure Type MOL
InChI Key CQBJKYPUNVGQEY-UHFFFAOYSA-M
Parent Compound CHEMBL1178066
Active Moiety CHEMBL1178066
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.8
MW (Da)
6.74
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.13
QED
1
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H59NO4
MW 461.77
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
4020830 10.1021/jm00146a019 Oryctolagus cuniculus 1
4020830 10.1021/jm00146a019 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine