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Compound Detail

CHEMBL329128

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N/C(S)=N/N=C/c1ccc(-c2cccc(Cl)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329128
Phase Preclinical
Structure Type MOL
InChI Key HDFFZLLJRXNZMA-VIZOYTHASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.8
MW (Da)
3.18
ALogP
3
HBA
2
HBD
63.9
PSA (Ų)
0.39
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 C12H10ClN3OS
MW 279.75
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cruzipain
CHEMBL3563
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cruzipain IC50 = 140.0 nM 6.85 Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain... 12061873

Literature References

PubMed DOI Target Context # Activities
12061873 10.1021/jm010459j Cruzipain 1

Data from ChEMBL 36 via Core Engine