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Compound Detail

CHEMBL4792444

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Cc1cccnc1C[S+]([O-])c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4792444
Phase Preclinical
Structure Type MOL
InChI Key MSVPDUIRKKWSDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.57
ALogP
3
HBA
1
HBD
64.6
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 C14H13N3OS
MW 271.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.84

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