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Compound Detail

CHEMBL4437734

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[O-][S+](Cc1nccs1)C1c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437734
Phase Preclinical
Structure Type MOL
InChI Key YJBHZJNPYUXVPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
4.16
ALogP
3
HBA
0
HBD
36.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NOS2
MW 311.43
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
31841637 10.1021/acs.jmedchem.9b01938 Sodium-dependent dopamine transporter 1
31841637 10.1021/acs.jmedchem.9b01938 Sodium-dependent noradrenaline transporter 1
31841637 10.1021/acs.jmedchem.9b01938 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine