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Compound Detail

CHEMBL3430925

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O=[N+]([O-])c1ccc(-c2nnn(-c3cccnc3)n2)o1

Basic Information

ChEMBL ID CHEMBL3430925
Phase Preclinical
Structure Type MOL
InChI Key ULCDUXIWCOXKET-UHFFFAOYSA-N
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
1.23
ALogP
8
HBA
0
HBD
112.8
PSA (Ų)
0.51
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 C10H6N6O3
MW 258.20
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.33

Activity Summary

IC50 9 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
IC50 7.2 6.3333 63.1 3
Trypanosoma brucei brucei
CHEMBL612851
IC50 6.5 6.4 316.2 2
Sterol 14-alpha demethylase
CHEMBL1075110
IC50 5.4 5.4 3981.1 1
Leishmania donovani
CHEMBL367
IC50 4.9 4.6667 12589.2 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3430912 Leishmania donovani 4
- 10.6019/CHEMBL3430912 Trypanosoma cruzi 4
- 10.6019/CHEMBL3430912 Trypanosoma brucei brucei 2
- 10.6019/CHEMBL3430912 HepG2 1
- 10.6019/CHEMBL3430912 Sterol 14-alpha demethylase 1

Data from ChEMBL 36 via Core Engine