Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2442701

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N\O)nc3)n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442701
Phase Preclinical
Structure Type MOL
InChI Key JTNRPLUWQFFQKU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
0.79
ALogP
8
HBA
4
HBD
168.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N8O2
MW 350.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.69

Activity Summary

IC50 2 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.11 6.11 785.0 1
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 4.02 4.02 95400.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.85 hr Mus musculus
t1/2 - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 785.0 nM 6.11 Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxa... 24012380
Trypanosoma brucei rhodesiense IC50 = 95400.0 nM 4.02 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... 24012380

Literature References

PubMed DOI Target Context # Activities
24012380 10.1016/j.bmc.2013.08.006 Trypanosoma brucei rhodesiense 4
24012380 10.1016/j.bmc.2013.08.006 Trypanosoma brucei brucei 2
24012380 10.1016/j.bmc.2013.08.006 Liver 1
24012380 10.1016/j.bmc.2013.08.006 Liver microsomes 1
24012380 10.1016/j.bmc.2013.08.006 L6 1
24012380 10.1016/j.bmc.2013.08.006 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine