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Compound Detail

CHEMBL507826

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Clc1ccccc1C1CC(c2cccc(Br)c2)=NN1c1nc2nc3ccccc3nc2s1

Basic Information

ChEMBL ID CHEMBL507826
Phase Preclinical
Structure Type MOL
InChI Key KQKNMUCJSGCARL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

520.8
MW (Da)
7.01
ALogP
6
HBA
0
HBD
54.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15BrClN5S
MW 520.84
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Entamoeba histolytica
CHEMBL612853
IC50 6.17 6.17 680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Entamoeba histolytica IC50 = 680.0 nM 6.17 Antiamnesic activity against Entamoeba histolytica HMI:IMSS after 72 hrs by micr... 18068273

Literature References

PubMed DOI Target Context # Activities
18068273 10.1016/j.ejmech.2007.10.026 Entamoeba histolytica 1
18068273 10.1016/j.ejmech.2007.10.026 ADMET 1
18068273 10.1016/j.ejmech.2007.10.026 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine