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Compound Detail

CHEMBL2347173

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CCSCCCc1c[nH]c2ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347173
Phase Preclinical
Structure Type MOL
InChI Key IQMUJCAODNDQFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.99
ALogP
1
HBA
1
HBD
15.8
PSA (Ų)
0.78
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 C13H16FNS
MW 237.34
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
23581551 10.1021/jm4001538 Myeloperoxidase 2
23581551 10.1021/jm4001538 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine