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Compound Detail

CHEMBL5417872

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Cn1c(COc2ccc3c(Cc4ccccc4)n[nH]c(=O)c3c2)cnc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417872
Phase Preclinical
Structure Type MOL
InChI Key JJTIAWXMDVPXSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
2.73
ALogP
7
HBA
1
HBD
115.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O4
MW 391.39
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
37484567 10.1039/d3md00117b ADMET 2
37484567 10.1039/d3md00117b Poly [ADP-ribose] polymerase 1 2
37484567 10.1039/d3md00117b No relevant target 1

Data from ChEMBL 36 via Core Engine