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Compound Detail

CHEMBL365264

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N=C(N)Nc1ccc2c(c1)Nc1cc(NC(=N)N)ccc1C2

Basic Information

ChEMBL ID CHEMBL365264
Phase Preclinical
Structure Type MOL
InChI Key NIURFYGFUWYYIO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
1.95
ALogP
3
HBA
7
HBD
135.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N7
MW 295.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.24

Activity Summary

IC50 2 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 7.17 7.17 66.9 1
Plasmodium falciparum
CHEMBL364
IC50 6.64 6.64 227.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16107146 10.1021/jm058190h Mus musculus 4
16107146 10.1021/jm058190h Trypanosoma brucei rhodesiense 1
16107146 10.1021/jm058190h Plasmodium falciparum 1
16107146 10.1021/jm058190h L6 1
16107146 10.1021/jm058190h Nucleic Acid 1

Data from ChEMBL 36 via Core Engine