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Compound Detail

CHEMBL2322506

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Cn1c2nc3ccccc3c-2c(NCCCN)c2cc(F)ccc21

Basic Information

ChEMBL ID CHEMBL2322506
Phase Preclinical
Structure Type MOL
InChI Key AUSRMEPMNDLSAI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.73
ALogP
4
HBA
2
HBD
55.9
PSA (Ų)
0.56
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 C19H19FN4
MW 322.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.3 7.3 49.6 1
L6
CHEMBL614793
IC50 6.47 6.47 338.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23360309 10.1021/jm300887b Plasmodium falciparum 2
23360309 10.1021/jm300887b Unchecked 1
23360309 10.1021/jm300887b L6 1

Data from ChEMBL 36 via Core Engine