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Compound Detail

CHEMBL2296715

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COc1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1

Basic Information

ChEMBL ID CHEMBL2296715
Phase Preclinical
Structure Type MOL
InChI Key ZBDBDWXOEVXPLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
2.83
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N6O
MW 316.32
Aromatic Rings 5
Heavy Atoms 24
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0342-1 ADMET 2
- 10.1007/s00044-012-0342-1 Respiratory syncytial virus 1
- 10.1007/s00044-012-0342-1 Poliovirus 1 1
- 10.1007/s00044-012-0342-1 Vesicular stomatitis virus 1
- 10.1007/s00044-012-0342-1 Coxsackievirus B2 1
- 10.1007/s00044-012-0342-1 Vaccinia virus 1
- 10.1007/s00044-012-0342-1 Human alphaherpesvirus 1 1
- 10.1007/s00044-012-0342-1 Mammalian orthoreovirus 1 1
- 10.1007/s00044-012-0342-1 Yellow fever virus 1
- 10.1007/s00044-012-0342-1 Bovine viral diarrhea virus 1 1
- 10.1007/s00044-012-0342-1 Human immunodeficiency virus 1 1
- 10.1007/s00044-012-0342-1 BHK-21 1
- 10.1007/s00044-012-0342-1 MT4 1

Data from ChEMBL 36 via Core Engine