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Compound Detail

CHEMBL1197192

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CCn1cc/c(=N\c2cccc(CCc3ccc(Cl)cc3)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197192
Phase Preclinical
Structure Type MOL
InChI Key RDNSVUHQPAESES-DARPEHSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
5.83
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20Cl2N2
MW 371.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium berghei
CHEMBL612653
 IC50 6.39 6.39 407.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium berghei IC50 = 407.0 nM 6.39 Antiplasmodial activity against liver stage Plasmodium berghei infected in human... 23701465

Literature References

PubMed DOI Target Context # Activities
23701465 10.1021/jm400246e Unchecked 2
23701465 10.1021/jm400246e HepG2 1
23701465 10.1021/jm400246e Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine