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Compound Detail

CHEMBL3234545

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CN1C(=O)c2ccccc2[S@@+]([O-])c2ccc(C(=O)NCCc3cccs3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3234545
Phase Preclinical
Structure Type MOL
InChI Key YXLLQNMKIDBOGH-MUUNZHRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.48
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O3S2
MW 410.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
24666157 10.1021/jm500126s D(2) dopamine receptor 3
24666157 10.1021/jm500126s D(3) dopamine receptor 2

Data from ChEMBL 36 via Core Engine