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Compound Detail

CHEMBL2042318

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Nc1nc(N)c2ccc(Oc3ccccc3)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042318
Phase Preclinical
Structure Type MOL
InChI Key IRZAIAICWOAJIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.59
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N4O
MW 252.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
22448770 10.1021/jm2015952 dengue virus type 2 1
22448770 10.1021/jm2015952 ADMET 1

Data from ChEMBL 36 via Core Engine