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Compound Detail

CHEMBL3884001

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Oc1ccccc1/C=N/Nc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884001
Phase Preclinical
Structure Type MOL
InChI Key NRTCQNYMCVHLCV-LDADJPATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
3.99
ALogP
3
HBA
2
HBD
44.6
PSA (Ų)
0.55
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 C17H14N2O
MW 262.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine