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Compound Detail

CHEMBL2236629

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COc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2236629
Phase Preclinical
Structure Type MOL
InChI Key QXLMRSDBFLKAPR-VCHYOVAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
1.87
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O4
MW 315.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
24924425 10.1016/j.bmc.2014.05.034 No relevant target 3
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2
- 10.1007/s00044-011-9662-9 Coxsackievirus B4 2
- 10.1007/s00044-011-9662-9 Human alphaherpesvirus 1 2
- 10.1007/s00044-011-9662-9 Vesicular stomatitis virus 1
- 10.1007/s00044-011-9662-9 Human immunodeficiency virus 1 1
- 10.1007/s00044-011-9662-9 Human immunodeficiency virus 2 1
30344907 10.1021/acsmedchemlett.8b00247 Unchecked 1
- 10.1007/s00044-011-9662-9 Human alphaherpesvirus 2 1
- 10.1007/s00044-011-9662-9 Vaccinia virus 1
- 10.1007/s00044-011-9662-9 HEL 1
- 10.1007/s00044-011-9662-9 HeLa 1
- 10.1007/s00044-011-9662-9 Escherichia coli 1
- 10.1007/s00044-011-9662-9 Respiratory syncytial virus 1
- 10.1007/s00044-011-9662-9 Human respirovirus 3 1
- 10.1007/s00044-011-9662-9 Mammalian orthoreovirus 1 1
- 10.1007/s00044-011-9662-9 Sindbis virus 1
- 10.1007/s00044-011-9662-9 Punta Toro virus 1
- 10.1007/s00044-011-9662-9 Vero 1
- 10.1007/s00044-011-9662-9 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine