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Compound Detail

CHEMBL5402901

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N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)cc2F)c(F)c1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402901
Phase Preclinical
Structure Type MOL
InChI Key JGACHUHQIIENMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
4.88
ALogP
5
HBA
5
HBD
126.6
PSA (Ų)
0.20
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19F2N7O
MW 471.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.30

Activity Summary

EC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 EC50 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 470.0 nM 6.33 Antitrypanosomal activity against Trypanosoma cruzi epimastigotes CL-B5 expressi... 37729094

Literature References

PubMed DOI Target Context # Activities
37729094 10.1021/acs.jmedchem.3c00697 Trypanosoma cruzi 1
37729094 10.1021/acs.jmedchem.3c00697 L929 1
37729094 10.1021/acs.jmedchem.3c00697 ADMET 1
37729094 10.1021/acs.jmedchem.3c00697 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine