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Compound Detail

CHEMBL2393338

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NCCNc1ccnc2cc(C(F)(F)F)ccc12

Basic Information

ChEMBL ID CHEMBL2393338
Phase Preclinical
Structure Type MOL
InChI Key JAEDCEBPJIBQDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

255.2
MW (Da)
2.62
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12F3N3
MW 255.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 8.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 8.07 8.07 8.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38039505 10.1021/acs.jmedchem.3c00877 Fermitin family homolog 2 2
23669191 10.1016/j.bmc.2013.04.040 Plasmodium falciparum 1
23669191 10.1016/j.bmc.2013.04.040 Unchecked 1
23669191 10.1016/j.bmc.2013.04.040 Ferriprotoporphyrin IX 1

Data from ChEMBL 36 via Core Engine