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Compound Detail

CHEMBL2440530

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Cc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440530
Phase Preclinical
Structure Type MOL
InChI Key UFGUZRHZGLLOKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
2.49
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.79
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 C16H20N4OS2
MW 348.50
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.23

Literature References

PubMed DOI Target Context # Activities
24131029 10.1021/jm401002r Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine