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Compound Detail

CHEMBL2325448

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O=c1c(NCCC2CCCCC2)c(Nc2ccc3nnsc3c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325448
Phase Preclinical
Structure Type MOL
InChI Key LUBLRFOOZPRUAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.41
ALogP
7
HBA
2
HBD
84.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O2S
MW 356.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.14

Literature References

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

Data from ChEMBL 36 via Core Engine