Compound Detail
CHEMBL235938
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CC(=N)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCCN(C)C)n(C)c3)n(C)c2)n(C)c1
Basic Information
| ChEMBL ID | CHEMBL235938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYXSCEYQVCMZBL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
2.30
ALogP
8
HBA
5
HBD
141.2
PSA (Ų)
0.16
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.19 | 5.19 | 6422.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6422.0 | nM | 5.19 | Antimalarial activity against Plasmodium falciparum 3D7 incubated for 72 hours b... | 27212070 |
| Plasmodium falciparum | IC50 | = | 6457.0 | nM | 5.19 | Antimalarial activity against Plasmodium falciparum Dd2 incubated for 72 hours b... | 27212070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27212070 | 10.1016/j.bmcl.2016.05.039 | Plasmodium falciparum | 2 |
| 17960927 | 10.1021/jm070831g | Staphylococcus aureus | 1 |
| 17960927 | 10.1021/jm070831g | Mycolicibacterium fortuitum | 1 |
| 17960927 | 10.1021/jm070831g | Aspergillus niger | 1 |
| 17960927 | 10.1021/jm070831g | Candida albicans | 1 |
| 17960927 | 10.1021/jm070831g | Enterococcus faecalis | 1 |
| 27060763 | 10.1016/j.ejmech.2016.03.064 | Trypanosoma brucei brucei | 1 |
| 27212070 | 10.1016/j.bmcl.2016.05.039 | HEK293 | 1 |
| 27349332 | 10.1016/j.bmcl.2016.06.040 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine