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Compound Detail

CHEMBL102781

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C[N+](C)(C)[C@@H]1CCCC[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102781
Phase Preclinical
Structure Type MOL
InChI Key YVFNMIFOQCYHSZ-RKDXNWHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

158.3
MW (Da)
1.00
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H20NO+
MW 158.26
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.98

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