Compound Detail
CHEMBL416108
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
Cc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccn3)cc2C)o1
Basic Information
| ChEMBL ID | CHEMBL416108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXQAMYOMLXOWLI-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
6.90
ALogP
5
HBA
4
HBD
110.7
PSA (Ų)
0.15
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.68 | 6.55 | 210.0 | 3 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 6.42 | 6.27 | 380.0 | 3 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 210.0 | nM | 6.68 | Inhibitory activity against Trypanosoma cruzi | 12781196 |
| Trypanosoma cruzi | IC50 | = | 240.0 | nM | 6.62 | Antitrypanosomal activity against Trypanosoma cruzi Y amastigotes after 24 hrs b... | 17698624 |
| Leishmania amazonensis | IC50 | = | 290.0 | nM | 6.54 | Antileishmanial activity against beta-lactamase transfected Leishmania amazonens... | 21741248 |
| Leishmania donovani | IC50 | = | 380.0 | nM | 6.42 | Inhibitory activity against Leishmania donovani (amastigote) | 12781196 |
| Trypanosoma cruzi | IC50 | = | 450.0 | nM | 6.35 | Antitrypanosomal activity against Trypanosoma cruzi Y bloodstream trypomastigote... | 17698624 |
| Leishmania donovani | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against Leishmania donovani (macrophage) | 12781196 |
| Leishmania donovani | IC50 | = | 670.0 | nM | 6.17 | Antileishmanial activity against Leishmania donovani axenic amastigotes after 3 ... | 21741248 |
| Molecular identity unknown | IC50 | = | 11300.0 | nM | 4.95 | Cell toxicity was evaluated | 12781196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698624 | 10.1128/aac.00047-07 | Trypanosoma cruzi | 7 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Leishmania donovani | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Nucleic Acid | 2 |
| 11356109 | 10.1021/jm000413a | Candida albicans | 2 |
| 11356109 | 10.1021/jm000413a | Aspergillus fumigatus | 2 |
| 11356109 | 10.1021/jm000413a | Nucleic Acid | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Trypanosoma cruzi | 1 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Molecular identity unknown | 1 |
| 11356109 | 10.1021/jm000413a | Mycobacterium tuberculosis | 1 |
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania donovani | 1 |
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine