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Compound Detail

CHEMBL3099042

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O=C(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099042
Phase Preclinical
Structure Type MOL
InChI Key BJMNJFTYIMGEOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
5.87
ALogP
4
HBA
0
HBD
28.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31Cl2N3O
MW 472.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.35 6.35 448.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 448.0 nM 6.35 Antimalarial activity against Plasmodium falciparum K1 infected in human RBC aft... 24900603

Literature References

PubMed DOI Target Context # Activities
24900603 10.1021/ml400015f Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine