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Compound Detail

CHEMBL478652

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C/C(=N\NC(N)=O)c1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478652
Phase Preclinical
Structure Type MOL
InChI Key AXPXSPGTACKPRB-KNBZMSCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.4
MW (Da)
4.72
ALogP
6
HBA
5
HBD
150.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21Cl2N7O3S
MW 534.43
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.40

Literature References

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

Data from ChEMBL 36 via Core Engine