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Compound Detail

CHEMBL478200

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Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)OCC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478200
Phase Preclinical
Structure Type MOL
InChI Key LDGJUGGOUSFJRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
7.34
ALogP
6
HBA
0
HBD
57.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31N3O2S
MW 509.68
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.08

Literature References

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

Data from ChEMBL 36 via Core Engine