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Compound Detail

CHEMBL4173766

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COc1nc2ccc(CSc3ccccn3)cc2nc1OC

Basic Information

ChEMBL ID CHEMBL4173766
Phase Preclinical
Structure Type MOL
InChI Key RRIHJZWNBFBTBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.33
ALogP
6
HBA
0
HBD
57.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2S
MW 313.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.45

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