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Compound Detail

CHEMBL510606

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NC(=S)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510606
Phase Preclinical
Structure Type MOL
InChI Key YCXPXWJLBVMMMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
4.39
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2N3S
MW 350.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Entamoeba histolytica
CHEMBL612853
 IC50 5.96 5.96 1090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Entamoeba histolytica IC50 = 1090.0 nM 5.96 Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by try... 18378360

Literature References

PubMed DOI Target Context # Activities
18378360 10.1016/j.ejmech.2008.02.002 Entamoeba histolytica 1
18378360 10.1016/j.ejmech.2008.02.002 ADMET 1
18378360 10.1016/j.ejmech.2008.02.002 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine