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Compound Detail

CHEMBL5093823

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O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)OC(F)(F)O4

Basic Information

ChEMBL ID CHEMBL5093823
Phase Preclinical
Structure Type MOL
InChI Key REAWEWPBPHBJKE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
1.99
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.66
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 C20H18F2N4O4
MW 416.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-directed RNA polymerase I subunit RPA1
CHEMBL3286067
IC50 6.38 6.38 420.0 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