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Compound Detail

CHEMBL5395617

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CN1C(=O)c2ccc(Cl)cc2N2C(=O)CCC12C(=O)Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395617
Phase Preclinical
Structure Type MOL
InChI Key NQZQKPPFBHCCSV-UHFFFAOYSA-N
1
Targets
16
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.2
MW (Da)
3.54
ALogP
3
HBA
1
HBD
69.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2N3O3
MW 404.25
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.91

Activity Summary

EC50 16 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 8.1 7.7856 7.9 16

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 8.0 nM 8.1 Antimalarial activity against Plasmodium falciparum Dd2 assessed as reduction in... 36812492
Plasmodium falciparum EC50 = 7.9 nM 8.1 Antimalarial activity against asexual stage multidrug-resistant Plasmodium falci... 36812492
Plasmodium falciparum EC50 = 10.0 nM 8.0 Antimalarial activity against asexual blood-stage Plasmodium falciparum 3D7 asse... 36812492
Plasmodium falciparum EC50 = 10.0 nM 8.0 Antimalarial activity against asexual stage multidrug-resistant Plasmodium falci... 36812492
Plasmodium falciparum EC50 = 10.0 nM 8.0 Antimalarial activity against asexual stage multidrug-resistant Plasmodium falci... 36812492
Plasmodium falciparum EC50 = 11.0 nM 7.96 Antimalarial activity against asexual stage Rev-resistant Plasmodium falciparum ... 36812492
Plasmodium falciparum EC50 = 13.0 nM 7.89 Antimalarial activity against asexual stage drug-resistant Plasmodium falciparum... 36812492
Plasmodium falciparum EC50 = 13.0 nM 7.89 Antimalarial activity against asexual stage multidrug-resistant Plasmodium falci... 36812492
Plasmodium falciparum EC50 = 13.0 nM 7.89 Antimalarial activity against asexual stage mefloquine-resistant Plasmodium falc... 36812492
Plasmodium falciparum EC50 = 13.0 nM 7.89 Antimalarial activity against asexual stage mefloquine-resistant Plasmodium falc... 36812492
Plasmodium falciparum EC50 = 13.0 nM 7.89 Antimalarial activity against asexual stage multidrug-resistant Plasmodium falci... 36812492
Plasmodium falciparum EC50 = 17.0 nM 7.77 Antimalarial activity against asexual stage multidrug-resistant Plasmodium falci... 36812492
Plasmodium falciparum EC50 = 32.0 nM 7.5 Antimalarial activity against N-(3-Fluoropheny1)-8-methoxy-4-methy1-1,5-dioxo-2,... 36812492
Plasmodium falciparum EC50 = 35.3 nM 7.45 Antimalarial activity against N-(3-Fluoropheny1)-8-methoxy-4-methy1-1,5-dioxo-2,... 36812492
Plasmodium falciparum EC50 = 42.8 nM 7.37 Antimalarial activity against N-(3-Fluoropheny1)-8-methoxy-4-methy1-1,5-dioxo-2,... 36812492
Plasmodium falciparum EC50 = 136.0 nM 6.87 Antimalarial activity against asexual stage drug-resistant Plasmodium falciparum... 36812492

Literature References

PubMed DOI Target Context # Activities
36812492 10.1021/acs.jmedchem.2c02092 Plasmodium falciparum 16
36812492 10.1021/acs.jmedchem.2c02092 Unchecked 4
36812492 10.1021/acs.jmedchem.2c02092 HepG2 1

Data from ChEMBL 36 via Core Engine