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Compound Detail

CHEMBL46243

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Cc1cc(NC(=O)C(=O)c2cn(Cc3ccncc3)c3ccccc23)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46243
Phase Preclinical
Structure Type MOL
InChI Key PFJLGABNPSRLCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.20
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O3
MW 360.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
12699388 10.1021/jm020471r No relevant target 1
12699388 10.1021/jm020471r NUGC-3 1

Data from ChEMBL 36 via Core Engine