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Compound Detail

CHEMBL3289413

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O=C(NC1CNC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12

Basic Information

ChEMBL ID CHEMBL3289413
Phase Preclinical
Structure Type MOL
InChI Key BNXCVFYAJFUJGK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
1.70
ALogP
5
HBA
2
HBD
75.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O2
MW 344.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.75 6.75 180.0 1
DNA-directed RNA polymerase I subunit RPA1
CHEMBL3286067
IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24847734 10.1021/jm5004842 DNA-directed RNA polymerase I subunit RPA1 1
24847734 10.1021/jm5004842 Unchecked 1

Data from ChEMBL 36 via Core Engine