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Compound Detail

CHEMBL478009

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COC(=O)c1sc(NC(=O)Nc2ccc(/C(C)=N/NC(N)=O)cc2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478009
Phase Preclinical
Structure Type MOL
InChI Key PPBBOHJUQABDPO-ODCIPOBUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.27
ALogP
7
HBA
4
HBD
147.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N6O4S
MW 390.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.21

Literature References

PubMed DOI Target Context # Activities
18610998 10.1021/jm800412d Yellow fever virus 1

Data from ChEMBL 36 via Core Engine