Compound Detail
CHEMBL2029380
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 | CHEMBL2029380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAHJYCMEMRPITN-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.91
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.8 | 4.5767 | 16000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 7500.0 | nM | 5.12 | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition... | 24900279 |
| Trypanosoma brucei brucei | EC50 | = | 16000.0 | nM | 4.8 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 24900279 |
| Trypanosoma brucei brucei | EC50 | = | 34000.0 | nM | 4.47 | Antitrypanosomal activity against TbAt1-deficient bloodstraem form of Trypanosom... | 24900279 |
| Trypanosoma brucei brucei | EC50 | = | 35000.0 | nM | 4.46 | Antitrypanosomal activity against TbAt1-deficient bloodstraem form Trypanosoma b... | 24900279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900279 | 10.1021/ml200160k | Trypanosoma brucei brucei | 3 |
| 24900279 | 10.1021/ml200160k | Leishmania major | 1 |
| 24900279 | 10.1021/ml200160k | Leishmania mexicana | 1 |
| 24900279 | 10.1021/ml200160k | Plasmodium falciparum | 1 |
| 24900279 | 10.1021/ml200160k | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine