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Compound Detail

CHEMBL107582

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CC(O)C[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107582
Phase Preclinical
Structure Type MOL
InChI Key JPKKMFOXWKNEEN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

118.2
MW (Da)
0.07
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.51
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 C6H16NO+
MW 118.20
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.90

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15149650 10.1016/j.bmcl.2004.04.020 Sodium- and chloride-dependent creatine transporter 1 1

Data from ChEMBL 36 via Core Engine