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Compound Detail

CHEMBL3884712

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NNc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884712
Phase Preclinical
Structure Type MOL
InChI Key XBCIOBSQHJYVBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

158.2
MW (Da)
2.13
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2
MW 158.20
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine