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Compound Detail

CHEMBL2325161

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N#C/N=C(\NCCC1CCCCC1)Nc1ccc2nnsc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325161
Phase Preclinical
Structure Type MOL
InChI Key GKIBNSAQKNKDHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
86.0
PSA (Ų)
0.51
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 C16H20N6S
MW 328.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.73

Literature References

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

Data from ChEMBL 36 via Core Engine