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Compound Detail

CHEMBL524049

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N#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2c(n1)N(Cc1cccc(C(F)(F)F)c1)CN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL524049
Phase Preclinical
Structure Type MOL
InChI Key QVKBZNKMFGIWBK-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.3
MW (Da)
5.68
ALogP
6
HBA
2
HBD
76.9
PSA (Ų)
0.49
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 C21H15Cl2F3N6
MW 479.29
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.55

Activity Summary

EC50 4 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 4.62 4.5575 24000.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 24000.0 nM 4.62 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-r... 19447616
Plasmodium falciparum EC50 = 27000.0 nM 4.57 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... 19447616
Plasmodium falciparum EC50 = 30000.0 nM 4.52 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-r... 19447616
Plasmodium falciparum EC50 = 30000.0 nM 4.52 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... 19447616

Literature References

PubMed DOI Target Context # Activities
19447616 10.1016/j.bmcl.2009.04.142 Plasmodium falciparum 4

Data from ChEMBL 36 via Core Engine