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Compound Detail

CHEMBL476634

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Fc1ccc(Cn2c(N3CCC(Nc4ccnc5cc(Cl)ccc45)CC3)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL476634
Phase Preclinical
Structure Type MOL
InChI Key QYGGBULTGHWDRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

486.0
MW (Da)
6.51
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.31
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 C28H25ClFN5
MW 485.99
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 64.0 nM 7.19 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