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Compound Detail

CHEMBL4793857

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Nc1nc(NCc2ccccc2)c2nn[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793857
Phase Preclinical
Structure Type MOL
InChI Key LTISNCJUIVYEKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
0.94
ALogP
6
HBA
3
HBD
105.4
PSA (Ų)
0.63
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 C11H11N7
MW 241.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
33007547 10.1016/j.bmc.2020.115723 Myeloperoxidase 2
33007547 10.1016/j.bmc.2020.115723 No relevant target 1

Data from ChEMBL 36 via Core Engine