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Compound Detail

CHEMBL233530

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COC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233530
Phase Preclinical
Structure Type MOL
InChI Key IMAGBMSOGGYLDK-CHWSQXEVSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
3.13
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.71
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 C14H18O2
MW 218.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.31

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
17446076 10.1016/j.bmc.2007.03.069 Sodium-dependent dopamine transporter 1
17446076 10.1016/j.bmc.2007.03.069 Sodium-dependent serotonin transporter 1
17446076 10.1016/j.bmc.2007.03.069 Sodium-dependent noradrenaline transporter 1

Data from ChEMBL 36 via Core Engine