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Compound Detail

CHEMBL3936285

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NC(=S)NN=C(Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3936285
Phase Preclinical
Structure Type MOL
InChI Key DGWXURVRVMHEOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
0.70
ALogP
7
HBA
2
HBD
124.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9F2N7O2S
MW 341.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.46

Activity Summary

EC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.67 4.67 21570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 21570.0 nM 4.67 Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Y infect... 27318979

Literature References

PubMed DOI Target Context # Activities
27318979 10.1016/j.ejmech.2016.04.065 NON-PROTEIN TARGET 4
27318979 10.1016/j.ejmech.2016.04.065 Unchecked 1

Data from ChEMBL 36 via Core Engine