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Compound Detail

CHEMBL1191608

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COc1ccc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191608
Phase Preclinical
Structure Type MOL
InChI Key BVVPEBFYUMLMNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.41
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O4
MW 341.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
32631507 10.1016/j.bmcl.2020.127284 dengue virus type 2 1
32631507 10.1016/j.bmcl.2020.127284 Huh-7 1

Data from ChEMBL 36 via Core Engine