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Compound Detail

CHEMBL517517

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CCCCCCCCOC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517517
Phase Preclinical
Structure Type MOL
InChI Key GCSQNZGHFVKCME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
7.49
ALogP
6
HBA
0
HBD
57.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N3O2S
MW 473.64
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.23

Literature References

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

Data from ChEMBL 36 via Core Engine