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Compound Detail

CHEMBL250831

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CCCN1CCOC(c2cccc(NS(C)(=O)=O)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250831
Phase Preclinical
Structure Type MOL
InChI Key RWVWPCNKFNXJPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.84
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N2O3S
MW 298.41
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
17976986 10.1016/j.bmcl.2007.10.059 D(2) dopamine receptor 1
17976986 10.1016/j.bmcl.2007.10.059 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine