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Compound Detail

CHEMBL5084657

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Cc1cc2nc3c(C(=O)NCCN4CCCC4)cccn3c(=O)c2cc1C

Basic Information

ChEMBL ID CHEMBL5084657
Phase Preclinical
Structure Type MOL
InChI Key NVVRVKNYPDQRPX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.29
ALogP
5
HBA
1
HBD
66.7
PSA (Ų)
0.72
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 C21H24N4O2
MW 364.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-directed RNA polymerase I subunit RPA1
CHEMBL3286067
IC50 5.94 5.94 1160.0 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