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Compound Detail

CHEMBL4458385

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Nc1cccc(Nc2ncnc3c2cnn3Cc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL4458385
Phase Preclinical
Structure Type MOL
InChI Key NALKOUYRPHWQIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.20
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6
MW 316.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 5
CHEMBL1795116
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein arginine N-methyltransferase 5 IC50 = 700.0 nM 6.16 Inhibition of PRMT5 (unknown origin) 30366617

Literature References

PubMed DOI Target Context # Activities
30366617 10.1016/j.bmcl.2018.10.026 Protein arginine N-methyltransferase 5 1

Data from ChEMBL 36 via Core Engine