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Compound Detail

CHEMBL2296655

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CCN(CC)CN1C(=O)/C(=N/NC(N)=S)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296655
Phase Preclinical
Structure Type MOL
InChI Key UIOZUNJOVSPBME-FOWTUZBSSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
0.87
ALogP
4
HBA
2
HBD
74.0
PSA (Ų)
0.62
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 C14H19N5OS
MW 305.41
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.91

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
32214762 10.1007/s00044-012-0184-x HeLa 3
32214762 10.1007/s00044-012-0184-x Coxsackievirus B4 2
32214762 10.1007/s00044-012-0184-x Vesicular stomatitis virus 2
32214762 10.1007/s00044-012-0184-x Unchecked 2
32214762 10.1007/s00044-012-0184-x MDCK 2
32214762 10.1007/s00044-012-0184-x Human alphaherpesvirus 1 2
32214762 10.1007/s00044-012-0184-x Aspergillus niger 1
32214762 10.1007/s00044-012-0184-x Influenza A virus H3N2 1
32214762 10.1007/s00044-012-0184-x Influenza B virus 1
32214762 10.1007/s00044-012-0184-x HEL 1
32214762 10.1007/s00044-012-0184-x Bacillus subtilis 1
32214762 10.1007/s00044-012-0184-x Klebsiella pneumoniae 1
32214762 10.1007/s00044-012-0184-x Escherichia coli 1
32214762 10.1007/s00044-012-0184-x Proteus vulgaris 1
32214762 10.1007/s00044-012-0184-x Salmonella typhi 1
32214762 10.1007/s00044-012-0184-x Candida albicans 1
32214762 10.1007/s00044-012-0184-x L1210 1
32214762 10.1007/s00044-012-0184-x CCRF-CEM 1
32214762 10.1007/s00044-012-0184-x ADMET 1
32214762 10.1007/s00044-012-0184-x Feline infectious peritonitis virus 1

Data from ChEMBL 36 via Core Engine