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Compound Detail

CHEMBL103048

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CN1CCCC(C2CCCN2C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103048
Phase Preclinical
Structure Type MOL
InChI Key LGMQKWYKBNHSOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

182.3
MW (Da)
1.42
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.60
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 C11H22N2
MW 182.31
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.22

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