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Compound Detail

CHEMBL475906

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CC(=O)c1ccc(CN(Cc2ccc(C(C)=O)cc2)c2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475906
Phase Preclinical
Structure Type MOL
InChI Key SUUWLTZBGJCWTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

580.5
MW (Da)
7.30
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27Cl2N3O3S
MW 580.54
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.47

Literature References

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

Data from ChEMBL 36 via Core Engine