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Compound Detail

CHEMBL3314712

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COc1cn2c(=O)ccc(O)c2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314712
Phase Preclinical
Structure Type MOL
InChI Key ATJLTTDKKHOYFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
0.41
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H8N2O3
MW 192.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
24963714 10.1021/np400831p RAW264.7 2

Data from ChEMBL 36 via Core Engine