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Compound Detail

CHEMBL2297585

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C/C(=N/NC(=S)Nc1ccccc1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2297585
Phase Preclinical
Structure Type MOL
InChI Key APWYTJSHGGPJOA-WQRHYEAKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
4.05
ALogP
2
HBA
2
HBD
36.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClN3S
MW 303.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 IC50 5.4 5.4 3970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei IC50 = 3970.0 nM 5.4 Trypanocidal activity against Trypanosoma brucei brucei 427 bloodstream form ass... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0208-6 Unchecked 1
- 10.1007/s00044-012-0208-6 Artemia salina 1
- 10.1007/s00044-012-0208-6 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine