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Compound Detail

CHEMBL4783713

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Nc1cc(C(CCc2ccccc2)c2ccccc2)c2nn[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783713
Phase Preclinical
Structure Type MOL
InChI Key VORBYFNQOACWGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.70
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5
MW 329.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
33007547 10.1016/j.bmc.2020.115723 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine