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Compound Detail

CHEMBL3884698

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Cc1c2c(cn1C)CCc1cnoc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884698
Phase Preclinical
Structure Type MOL
InChI Key XYXIMXJCSZZAPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
2.09
ALogP
3
HBA
0
HBD
31.0
PSA (Ų)
0.63
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 C11H12N2O
MW 188.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
27643641 10.1016/j.ejmech.2016.09.013 NON-PROTEIN TARGET 10

Data from ChEMBL 36 via Core Engine