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Compound Detail

CHEMBL3410637

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Fc1ccc(C2(Cn3cncn3)Cn3ccnc3O2)c(F)c1

Basic Information

ChEMBL ID CHEMBL3410637
Phase Preclinical
Structure Type MOL
InChI Key AUMHQTPTLDEJFB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.74
ALogP
6
HBA
0
HBD
57.8
PSA (Ų)
0.74
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 C14H11F2N5O
MW 303.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
IC50 5.24 5.24 5786.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 5786.0 nM 5.24 Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... 25580906

Literature References

PubMed DOI Target Context # Activities
25580906 10.1021/jm5015742 Trypanosoma brucei rhodesiense 1
25580906 10.1021/jm5015742 Trypanosoma cruzi 1
25580906 10.1021/jm5015742 Unchecked 1
25580906 10.1021/jm5015742 L6 1

Data from ChEMBL 36 via Core Engine