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Compound Detail

CHEMBL442234

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COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(OC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442234
Phase Preclinical
Structure Type MOL
InChI Key YZQHGCDBPHKCKB-CHWSQXEVSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
4.03
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17F3O3
MW 302.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.15

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