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Compound Detail

CHEMBL104154

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CCN1CC=C(C(C)=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104154
Phase Preclinical
Structure Type MOL
InChI Key OSMHAKPKSRJGTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

153.2
MW (Da)
1.23
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.59
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 C9H15NO
MW 153.22
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.17

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