Compound Detail
CHEMBL1087689
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
Basic Information
| ChEMBL ID | CHEMBL1087689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPWZYCCYPVMNSW-MKICQXMISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
5.09
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.8 | 5.5867 | 1600.0 | 3 |
| Trypanosoma evansi CHEMBL1075362 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 4.6 | 4.6 | 25000.0 | 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 Trypanosoma brucei brucei 427 after 48 hrs by ... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 1900.0 | nM | 5.72 | Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei... | 20004045 |
| Trypanosoma evansi | EC50 | = | 5600.0 | nM | 5.25 | Antitrypanosomal activity against Trypanosoma evansi ITMAV170475 after 48 hrs by... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 5800.0 | nM | 5.24 | Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei ... | 20004045 |
| Leishmania major | EC50 | = | 25000.0 | nM | 4.6 | Antileishmanial activity against Leishmania major Friedlin promastigotes after 4... | 20004045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Trypanosoma brucei brucei | 4 |
| 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 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Trypanosoma evansi | 1 |
| 20691508 | 10.1016/j.ejmech.2010.07.003 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine