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Compound Detail

CHEMBL555404

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CSc1ccc(C2CN3CCC[C@H]3c3c(Cl)cccc32)cc1.Cl

Basic Information

ChEMBL ID CHEMBL555404
Phase Preclinical
Structure Type MOL
InChI Key YANVGBQKXKSPDH-IXKLIVBYSA-N
Parent Compound CHEMBL1195825
Active Moiety CHEMBL1195825
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.9
MW (Da)
5.34
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21Cl2NS
MW 366.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
2213832 10.1021/jm00172a018 Mus musculus 5
2213832 10.1021/jm00172a018 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine