Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2296650

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccc(Cl)cc2)c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296650
Phase Preclinical
Structure Type MOL
InChI Key OXNQNGJCSFHNJJ-HKOYGPOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
4.33
ALogP
4
HBA
2
HBD
60.0
PSA (Ų)
0.51
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 C20H21Cl2N5OS
MW 450.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.02

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 Human alphaherpesvirus 1 2
32214762 10.1007/s00044-012-0184-x MDCK 2
32214762 10.1007/s00044-012-0184-x Salmonella typhi 1
32214762 10.1007/s00044-012-0184-x Influenza A virus H3N2 1
32214762 10.1007/s00044-012-0184-x HEL 1
32214762 10.1007/s00044-012-0184-x Staphylococcus aureus 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 Felid alphaherpesvirus 1 1
32214762 10.1007/s00044-012-0184-x Aspergillus niger 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

Data from ChEMBL 36 via Core Engine