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Compound Detail

CHEMBL3885290

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O=C(N/N=C/CO)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3885290
Phase Preclinical
Structure Type MOL
InChI Key AIHRBRDCXCLCCW-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
-0.21
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9N3O2
MW 179.18
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 3

Data from ChEMBL 36 via Core Engine