Compound Detail
CHEMBL329647
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
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
Basic Information
| ChEMBL ID | CHEMBL329647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWCCOINKBVLOIO-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
655.7
MW (Da)
11.06
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.6
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.24 | 7.0667 | 57.0 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 5.5 | 5.5 | 3140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 25.0 | nM | 7.6 | Antimicrobial activity against Trypanosoma brucei brucei clone 427-221a after 48... | 17371810 |
| Plasmodium falciparum | EC50 | = | 57.0 | nM | 7.24 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1R ... | 17371810 |
| Plasmodium falciparum | IC50 | = | 57.0 | nM | 7.24 | In vitro sensitivity for Plasmodium falciparum FcB1R | 10893302 |
| Plasmodium falciparum | EC50 | = | 95.0 | nM | 7.02 | Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 a... | 17371810 |
| Plasmodium falciparum | EC50 | = | 116.0 | nM | 6.94 | Antimicrobial activity against chloroquine-resistant Plasmodium falciparum W2 af... | 17371810 |
| Entamoeba histolytica | EC50 | = | 500.0 | nM | 6.3 | Antimicrobial activity against Entamoeba histolytica HM1 IMSS trophozoites after... | 17371810 |
| HL-60 | EC50 | = | 3140.0 | nM | 5.5 | Cytotoxicity against human HL60 cells | 17371810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893302 | 10.1021/jm990946n | MRC5 | 4 |
| 10893302 | 10.1021/jm990946n | Trypanosoma brucei | 4 |
| 10893302 | 10.1021/jm990946n | Trypanosoma cruzi | 4 |
| 10893302 | 10.1021/jm990946n | Leishmania infantum | 4 |
| 17371810 | 10.1128/aac.01418-06 | Schistosoma mansoni | 3 |
| 17371810 | 10.1128/aac.01418-06 | Plasmodium falciparum | 3 |
| 17371810 | 10.1128/aac.01418-06 | Trypanosoma brucei brucei | 3 |
| 17371810 | 10.1128/aac.01418-06 | HL-60 | 2 |
| 17371810 | 10.1128/aac.01418-06 | Unchecked | 2 |
| 10893302 | 10.1021/jm990946n | Plasmodium falciparum | 1 |
| 17371810 | 10.1128/aac.01418-06 | MRC5 | 1 |
| 17371810 | 10.1128/aac.01418-06 | Trypanosoma cruzi | 1 |
| 17371810 | 10.1128/aac.01418-06 | Leishmania donovani | 1 |
| 17371810 | 10.1128/aac.01418-06 | Entamoeba histolytica | 1 |
| 17371810 | 10.1128/aac.01418-06 | Trichomonas vaginalis | 1 |
| 17371810 | 10.1128/aac.01418-06 | Leishmania major | 1 |
| 17371810 | 10.1128/aac.01418-06 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine