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Compound Detail

CHEMBL5072616

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NCCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5072616
Phase Preclinical
Structure Type MOL
InChI Key BSJMRBFKESJTGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
1.69
ALogP
5
HBA
2
HBD
89.5
PSA (Ų)
0.44
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 C19H16N4O2
MW 332.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
35450366 10.1021/acsmedchemlett.1c00660 Cytochrome P450 1A2 1
35450366 10.1021/acsmedchemlett.1c00660 DNA-directed RNA polymerase I subunit RPA1 1
35450366 10.1021/acsmedchemlett.1c00660 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine