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Compound Detail

CHEMBL3198390

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O=C(N/N=C/C=C/c1ccccc1)c1ccncc1

Basic Information

ChEMBL ID CHEMBL3198390
Phase Preclinical
Structure Type MOL
InChI Key IZMVXNJRIXIGGM-CUQLSPFUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
2.51
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.67
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 C15H13N3O
MW 251.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.18 7.18 66.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33895706 10.1016/j.bmc.2021.116159 Plasmodium falciparum 1
35985254 10.1016/j.ejmech.2022.114653 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine