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Compound Detail

CHEMBL4741363

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Cc1ccccc1C[S+]([O-])c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4741363
Phase Preclinical
Structure Type MOL
InChI Key UDDLPQVRXQJVCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.18
ALogP
2
HBA
1
HBD
51.7
PSA (Ų)
0.74
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 C15H14N2OS
MW 270.36
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.70

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