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Compound Detail

CHEMBL3289423

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CC(CN(C)C)NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12

Basic Information

ChEMBL ID CHEMBL3289423
Phase Preclinical
Structure Type MOL
InChI Key NAZSUSPAXCYQQA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.68
ALogP
5
HBA
1
HBD
66.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2
MW 374.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-directed RNA polymerase I subunit RPA1
CHEMBL3286067
IC50 6.96 6.96 110.0 1
Unchecked
CHEMBL612545
IC50 6.8 6.8 160.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.9 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24847734 10.1021/jm5004842 Unchecked 3
24847734 10.1021/jm5004842 DNA-directed RNA polymerase I subunit RPA1 2
24847734 10.1021/jm5004842 Liver microsome 1

Data from ChEMBL 36 via Core Engine