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Compound Detail

CHEMBL2325171

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O=C(NCc1ccccc1)Nc1ccc2nnsc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325171
Phase Preclinical
Structure Type MOL
InChI Key JCQQUJWXFZSYQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
3.01
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N4OS
MW 284.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.29

Literature References

PubMed DOI Target Context # Activities
23445220 10.1021/jm3018332 Protein arginine N-methyltransferase 3 1

Data from ChEMBL 36 via Core Engine