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Compound Detail

CHEMBL514053

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Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514053
Phase Preclinical
Structure Type MOL
InChI Key NVLAPBMLOFNXHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.7
MW (Da)
6.01
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl3N2OS
MW 411.74
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.17

Literature References

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

Data from ChEMBL 36 via Core Engine