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Compound Detail

CHEMBL2042313

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COc1ccc2nc(N)nc(N)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042313
Phase Preclinical
Structure Type MOL
InChI Key DVUNMOYZMLAHNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
0.80
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N4O
MW 190.21
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.69

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