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Compound Detail

CHEMBL328338

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NNC(=O)c1ccc(N2CCN(c3ccc(C(=O)NN)cc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL328338
Phase Preclinical
Structure Type MOL
InChI Key JJQKJXSCUHRNPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
0.22
ALogP
6
HBA
4
HBD
116.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N6O2
MW 354.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1000.0 nM 6.0 Antimicrobial activity against Plasmodium falciparum 20185316

Literature References

PubMed DOI Target Context # Activities
15115412 10.1021/jm030545e Plasmodium falciparum 2
15115412 10.1021/jm030545e Calf thymus DNA 1
15115412 10.1021/jm030545e Nucleic Acid 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine