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Compound Detail

CHEMBL104586

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Basic Information

ChEMBL ID CHEMBL104586
Phase Preclinical
Structure Type MOL
InChI Key DPYMRUOGINZSQM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

107.2
MW (Da)
-0.14
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.49
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 C4H11OS+
MW 107.20
Aromatic Rings 0
Heavy Atoms 6
NP-Likeness 1.79

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