Compound Detail
CHEMBL1088639
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Basic Information
| ChEMBL ID | CHEMBL1088639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGFIBCPJCYYAPX-FCXRPNKRSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
2.70
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.8 | 5.73 | 1600.0 | 3 |
| HEK293 CHEMBL614818 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Leishmania mexicana CHEMBL612880 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1600.0 | nM | 5.8 | Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei ... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 1800.0 | nM | 5.75 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by ... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei... | 20004045 |
| HEK293 | EC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against HEK293 cells after 16 hrs by alamar blue assay | 20004045 |
| Leishmania major | EC50 | = | 33000.0 | nM | 4.48 | Antileishmanial activity against Leishmania major Friedlin promastigotes after 4... | 20004045 |
| Leishmania mexicana | EC50 | = | 37000.0 | nM | 4.43 | Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes... | 20004045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Trypanosoma brucei brucei | 3 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania major | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania mexicana | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | HEK293 | 1 |
| 20691508 | 10.1016/j.ejmech.2010.07.003 | Mycobacterium tuberculosis | 1 |
| 25305686 | 10.1016/j.bmcl.2014.09.059 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine