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Compound Detail

CHEMBL448417

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O=C(CCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCN(c2ccnc3cc(Cl)ccc23)CCN(c2ccnc3cc(Cl)ccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448417
Phase Preclinical
Structure Type MOL
InChI Key PBANFAOTZWLGQS-UHFFFAOYSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1000.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H50Cl4N10O2
MW 1000.86

Activity Summary

IC50 8 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.75 7.69 17.9 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 17.9 nM 7.75 In vitro growth inhibition of Plasmodium falciparum F32 11356101
Plasmodium falciparum IC50 = 17.9 nM 7.75 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum F32/Ta... 28800458
Plasmodium falciparum IC50 = 18.3 nM 7.74 In vitro growth inhibition of Plasmodium falciparum FcB1R 11356101
Plasmodium falciparum IC50 = 18.3 nM 7.74 Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1R/... 28800458
Plasmodium falciparum IC50 = 18.5 nM 7.73 In vitro growth inhibition of Plasmodium falciparum D6 11356101
Plasmodium falciparum IC50 = 18.5 nM 7.73 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6/Sie... 28800458
Plasmodium falciparum IC50 = 29.2 nM 7.54 In vitro growth inhibition of Plasmodium falciparum W2 11356101
Plasmodium falciparum IC50 = 29.2 nM 7.54 Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2/Ind... 28800458

Literature References

PubMed DOI Target Context # Activities
11356101 10.1021/jm001096a Plasmodium falciparum 4
11356101 10.1021/jm001096a MRC5 4
28800458 10.1016/j.ejmech.2017.07.061 Plasmodium falciparum 4
11356101 10.1021/jm001096a ADMET 3

Data from ChEMBL 36 via Core Engine