Compound Detail
CHEMBL2029388
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 | CHEMBL2029388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWCALJBLGXOJSH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2079400 |
| Active Moiety | CHEMBL2079400 |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.5
MW (Da)
4.34
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.64 | 5.6167 | 2300.0 | 3 |
| Leishmania major CHEMBL612879 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Leishmania mexicana CHEMBL612880 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1500.0 | nM | 5.82 | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition... | 24900279 |
| Trypanosoma brucei brucei | EC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 24900279 |
| Trypanosoma brucei brucei | EC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against TbAt1-deficient bloodstraem form of Trypanosom... | 24900279 |
| Trypanosoma brucei brucei | EC50 | = | 2700.0 | nM | 5.57 | Antitrypanosomal activity against TbAt1-deficient bloodstraem form Trypanosoma b... | 24900279 |
| Leishmania major | EC50 | = | 2700.0 | nM | 5.57 | Antileishmanial activity against promastigotes of Leishmania major Friedlin afte... | 24900279 |
| Leishmania mexicana | EC50 | = | 4800.0 | nM | 5.32 | Antileishmanial activity against amastigotes of Leishmania mexicana MNYC/BZ/62/M... | 24900279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900279 | 10.1021/ml200160k | Trypanosoma brucei brucei | 4 |
| 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