Compound Detail
CHEMBL2036057
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
CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21
Basic Information
| ChEMBL ID | CHEMBL2036057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMKDYSOZXRFOQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
537.0
MW (Da)
4.30
ALogP
6
HBA
1
HBD
87.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.53 | 6.53 | 295.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 295.0 | nM | 6.53 | Inhibition of recombinant Plasmodium falciparum NDH2 expressed in Escherichia co... | 22380711 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antimalarial activity against blood stage form of Plasmodium falciparum 3D7 infe... | 22380711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22380711 | 10.1021/jm3001482 | Unchecked | 1 |
| 22380711 | 10.1021/jm3001482 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine