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Compound Detail

CHEMBL516260

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Fc1ccc(Cn2c(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516260
Phase Preclinical
Structure Type MOL
InChI Key YUXTWNOTAQMGDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

472.0
MW (Da)
5.75
ALogP
5
HBA
0
HBD
37.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23ClFN5
MW 471.97
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.21 6.21 610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 610.0 nM 6.21 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 19054674

Literature References

PubMed DOI Target Context # Activities
19054674 10.1016/j.bmcl.2008.11.047 ADMET 1
19054674 10.1016/j.bmcl.2008.11.047 Plasmodium falciparum 1
19054674 10.1016/j.bmcl.2008.11.047 L6 1

Data from ChEMBL 36 via Core Engine