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Compound Detail

CHEMBL451837

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NCCC1CCC(c2ccco2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451837
Phase Preclinical
Structure Type MOL
InChI Key GNCUMPKNBKWCMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
1.85
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.77
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 C10H15NO2
MW 181.24
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.98

Literature References

PubMed DOI Target Context # Activities
19201198 10.1016/j.bmc.2009.01.023 Sodium-dependent dopamine transporter 2
19201198 10.1016/j.bmc.2009.01.023 Sodium-dependent serotonin transporter 2
19201198 10.1016/j.bmc.2009.01.023 Sodium-dependent noradrenaline transporter 2

Data from ChEMBL 36 via Core Engine