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Compound Detail

CHEMBL475811

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CC(C)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475811
Phase Preclinical
Structure Type MOL
InChI Key WEVWEYJRYRWKRU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
5.81
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.55
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 C23H26Cl2N4
MW 429.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.73

Activity Summary

IC50 2 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.19 8.115 6.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 6.4 nM 8.19 Antimalarial activity against chloroquine-resistant Plasmodium falciparum TM6 19284751
Plasmodium falciparum IC50 = 9.1 nM 8.04 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum HB3 19284751

Literature References

PubMed DOI Target Context # Activities
19284751 10.1021/jm8012757 Plasmodium falciparum 2
19284751 10.1021/jm8012757 Histidine-rich protein PFHRP-II 1
19284751 10.1021/jm8012757 No relevant target 1

Data from ChEMBL 36 via Core Engine