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Compound Detail

CHEMBL131663

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Cn1cnc2c(=O)n(C)c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131663
Phase Preclinical
Structure Type MOL
InChI Key KCPKRGHQVCZYTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
1.43
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O
MW 213.24
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
1331454 10.1021/jm00100a009 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine