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Compound Detail

CHEMBL594400

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Cn1ccc2ncccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594400
Phase Preclinical
Structure Type MOL
InChI Key XEMPOAPXKVLKFN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

132.2
MW (Da)
1.57
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8N2
MW 132.17
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19781948 10.1016/j.bmc.2009.08.057 Trypanosoma brucei rhodesiense 1
19781948 10.1016/j.bmc.2009.08.057 Trypanosoma cruzi 1
19781948 10.1016/j.bmc.2009.08.057 Leishmania donovani 1
19781948 10.1016/j.bmc.2009.08.057 Plasmodium falciparum 1
19781948 10.1016/j.bmc.2009.08.057 L6 1

Data from ChEMBL 36 via Core Engine