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Compound Detail

CHEMBL2042327

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CC(C)(C)S(=O)(=O)c1cccc2nc(N)nc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042327
Phase Preclinical
Structure Type MOL
InChI Key SNWVEPFGRFKILG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
1.37
ALogP
6
HBA
2
HBD
112.0
PSA (Ų)
0.82
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 C12H16N4O2S
MW 280.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.91

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