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Compound Detail

CHEMBL4170313

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COc1nc2ccc(CSc3ccc(Cl)c(Cl)c3)cc2nc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170313
Phase Preclinical
Structure Type MOL
InChI Key QGEMZPDEIBCAHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
5.25
ALogP
5
HBA
0
HBD
44.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2N2O2S
MW 381.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
29339251 10.1016/j.ejmech.2017.12.083 MT4 1
29339251 10.1016/j.ejmech.2017.12.083 Human immunodeficiency virus 1 1
29339251 10.1016/j.ejmech.2017.12.083 Unchecked 1
29339251 10.1016/j.ejmech.2017.12.083 Bovine viral diarrhea virus 1 1
29339251 10.1016/j.ejmech.2017.12.083 BHK-21 1
29339251 10.1016/j.ejmech.2017.12.083 Yellow fever virus 1
29339251 10.1016/j.ejmech.2017.12.083 Mammalian orthoreovirus 1 1
29339251 10.1016/j.ejmech.2017.12.083 Vero 76 1
29339251 10.1016/j.ejmech.2017.12.083 Coxsackievirus B5 1
29339251 10.1016/j.ejmech.2017.12.083 Human poliovirus 1 strain Sabin 1
29339251 10.1016/j.ejmech.2017.12.083 Human orthopneumovirus 1
29339251 10.1016/j.ejmech.2017.12.083 Vesicular stomatitis Indiana virus 1
29339251 10.1016/j.ejmech.2017.12.083 Vaccinia virus 1
29339251 10.1016/j.ejmech.2017.12.083 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine