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Compound Detail

CHEMBL403759

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CCN(CC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403759
Phase Preclinical
Structure Type MOL
InChI Key SFBSHUOIEODSEA-DZGCQCFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.44
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2OS
MW 280.44
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
18468895 10.1016/j.bmcl.2008.04.045 Sodium-dependent noradrenaline transporter 1
18468895 10.1016/j.bmcl.2008.04.045 Sodium-dependent serotonin transporter 1
18468895 10.1016/j.bmcl.2008.04.045 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine