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Compound Detail

CHEMBL104529

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CC(=O)C1=CCC(CCc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104529
Phase Preclinical
Structure Type MOL
InChI Key MTDXRQOJEWPJOL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
3.93
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20O
MW 228.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.76

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