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Compound Detail

CHEMBL4783399

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COc1c(C)cnc(C[S+]([O-])c2nc3ccccc3s2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783399
Phase Preclinical
Structure Type MOL
InChI Key SOEWTUMDYFLDAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.62
ALogP
5
HBA
0
HBD
58.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O2S2
MW 332.45
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
31923859 10.1016/j.ejmech.2019.112027 Histone-lysine N-methyltransferase 2A/WDR5 1

Data from ChEMBL 36 via Core Engine