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Compound Detail

CHEMBL2325163

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O=C(NCCC1CCOCC1)Nc1ccc2nnsc2c1

Basic Information

ChEMBL ID CHEMBL2325163
Phase Preclinical
Structure Type MOL
InChI Key MWKAFWOLSRTBHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
2.63
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.91
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 C14H18N4O2S
MW 306.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 3
CHEMBL5891
IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine