Compound Detail
CHEMBL3134087
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
CC(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL3134087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTFNNWRRUSGGHW-DQSJHHFOSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
5.56
ALogP
4
HBA
3
HBD
73.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.25 | 7.1525 | 56.0 | 4 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 5.82 | 5.82 | 1520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 56.0 | nM | 7.25 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum C2B a... | 24910766 |
| Plasmodium falciparum | EC50 | = | 68.0 | nM | 7.17 | Antiprotozoal activity against Plasmodium falciparum D6 assessed as growth inhib... | 24910766 |
| Plasmodium falciparum | EC50 | = | 74.0 | nM | 7.13 | Antiprotozoal activity against chloroquine/mefloquine/pyrimethamine-resistant Pl... | 24910766 |
| Plasmodium falciparum | EC50 | = | 88.0 | nM | 7.06 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum W2 as... | 24910766 |
| Trypanosoma brucei | EC50 | = | 150.0 | nM | 6.82 | Antiprotozoal activity against Trypanosoma brucei 427 assessed as growth inhibit... | 24910766 |
| Leishmania major | EC50 | = | 1520.0 | nM | 5.82 | Antiprotozoal activity against promastigote stage of Leishmania major assessed a... | 24910766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24910766 | 10.1039/c4md00045e | Plasmodium falciparum | 4 |
| 24910766 | 10.1039/c4md00045e | Leishmania major | 2 |
| 24910766 | 10.1039/c4md00045e | HepG2 | 1 |
| 24910766 | 10.1039/c4md00045e | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine