Compound Detail
CHEMBL239071
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
COc1cc(C(=N)NC(C)C)cc2cc(CCCCCc3cc4cc(C(=N)NC(C)C)cc(OC)c4o3)oc12
Basic Information
| ChEMBL ID | CHEMBL239071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTLURDWWMAXEGU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
6.80
ALogP
6
HBA
4
HBD
116.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.88 | 6.88 | 133.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.25 | 5.25 | 5660.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.14 | 4.14 | 72800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 104.0 | nM | 6.98 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 17948982 |
| Plasmodium falciparum | IC50 | = | 133.0 | nM | 6.88 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 17948982 |
| Leishmania donovani | IC50 | = | 5660.0 | nM | 5.25 | Antitrypanosomal activity against Leishmania donovani (MHOM/SD/62/1S-CL2D) axeni... | 17948982 |
| L6 | IC50 | = | 72800.0 | nM | 4.14 | Cytotoxicity against rat L6 cells | 17948982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948982 | 10.1021/jm0708634 | Unchecked | 4 |
| 17948982 | 10.1021/jm0708634 | L6 | 1 |
| 17948982 | 10.1021/jm0708634 | Trypanosoma brucei rhodesiense | 1 |
| 17948982 | 10.1021/jm0708634 | Plasmodium falciparum | 1 |
| 17948982 | 10.1021/jm0708634 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine