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Compound Detail

CHEMBL5561937

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COc1cccc(Cn2ccn(Cc3cccc(OC)c3)c2=S)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561937
Phase Preclinical
Structure Type MOL
InChI Key BFKMGGAEGPDEEI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.13
ALogP
5
HBA
0
HBD
28.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O2S
MW 340.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
38716896 10.1021/acs.jmedchem.3c02426 Lactoperoxidase 1

Data from ChEMBL 36 via Core Engine