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Compound Detail

CHEMBL2402110

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C/C(=N\NC(N)=S)c1cccc(/C(C)=N/NC(N)=S)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402110
Phase Preclinical
Structure Type MOL
InChI Key YWQDIJCAXICZIA-BGPOSVGRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
0.80
ALogP
4
HBA
4
HBD
100.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N6S2
MW 308.44
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 330.0 nM 6.48 Inhibition of Trypanosoma brucei rhodesain 23611656

Literature References

PubMed DOI Target Context # Activities
23611656 10.1021/jm301424d Trypanosoma brucei 1
23611656 10.1021/jm301424d Unchecked 1

Data from ChEMBL 36 via Core Engine