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Compound Detail

CHEMBL1162372

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CN1/C(=C\N=N\c2ccccc2)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])O

Basic Information

ChEMBL ID CHEMBL1162372
Phase Preclinical
Structure Type MOL
InChI Key QPLTYYVIMNWDFO-OOADHBEISA-N
Parent Compound CHEMBL1199390
Active Moiety CHEMBL1199390
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
5.04
ALogP
3
HBA
0
HBD
28.0
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20ClN3O4
MW 377.83
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
18760610 10.1016/j.bmc.2008.08.028 ADMET 2
18760610 10.1016/j.bmc.2008.08.028 Vaccinia virus 1
18760610 10.1016/j.bmc.2008.08.028 Vesicular stomatitis virus 1
18760610 10.1016/j.bmc.2008.08.028 MT4 1
18760610 10.1016/j.bmc.2008.08.028 Bovine viral diarrhea virus 1 1
18760610 10.1016/j.bmc.2008.08.028 Yellow fever virus 1
18760610 10.1016/j.bmc.2008.08.028 Vero 1
18760610 10.1016/j.bmc.2008.08.028 Coxsackievirus B2 1
18760610 10.1016/j.bmc.2008.08.028 Respiratory syncytial virus 1
18760610 10.1016/j.bmc.2008.08.028 Poliovirus 1 1
18760610 10.1016/j.bmc.2008.08.028 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine