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Compound Detail

CHEMBL3289414

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CN1CCC(NC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1

Basic Information

ChEMBL ID CHEMBL3289414
Phase Preclinical
Structure Type MOL
InChI Key NUKUDYATSNPVIG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
2.82
ALogP
5
HBA
1
HBD
66.7
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 C23H22N4O2
MW 386.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.29

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-directed RNA polymerase I subunit RPA1
CHEMBL3286067
IC50 6.75 6.75 180.0 1
Unchecked
CHEMBL612545
IC50 5.86 5.86 1380.0 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