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Compound Detail

CHEMBL5071620

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CN1CCOCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12

Basic Information

ChEMBL ID CHEMBL5071620
Phase Preclinical
Structure Type MOL
InChI Key RDAKENACFZAMQB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.06
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O3
MW 402.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-directed RNA polymerase I subunit RPA1
CHEMBL3286067
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35450366 10.1021/acsmedchemlett.1c00660 DNA-directed RNA polymerase I subunit RPA1 1

Data from ChEMBL 36 via Core Engine