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Compound Detail

CHEMBL4462851

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CCCCNC(=O)c1ccc(-c2ccsc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462851
Phase Preclinical
Structure Type MOL
InChI Key SFZHPEXMQZPWLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
3.95
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NOS
MW 259.37
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
31387791 10.1016/j.bmcl.2019.07.020 D(3) dopamine receptor 1
31387791 10.1016/j.bmcl.2019.07.020 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine