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Compound Detail

CHEMBL184867

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COC(=O)C1=C(c2ccccc2)CC2CCC1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184867
Phase Preclinical
Structure Type MOL
InChI Key WCWYQSBRFMSVQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.56
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.75
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 C15H16O3
MW 244.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
15546718 10.1016/j.bmcl.2004.09.080 Sodium-dependent dopamine transporter 1
15546718 10.1016/j.bmcl.2004.09.080 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine