Compound Detail
CHEMBL62603
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CCN(CC)CCCC(C)Nc1cc(CCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL62603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBAHGGRHGCJSEY-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
681.1
MW (Da)
10.75
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.6 | 6.55 | 25.0 | 4 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | Growth inhibition of chloroquine-resistant Plasmodium falciparum KI | 11514142 |
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 18395298 |
| Plasmodium falciparum | IC50 | = | 123.0 | nM | 6.91 | Growth inhibition of chloroquine-sensitive Plasmodium falciparum D10 | 11514142 |
| Plasmodium falciparum | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of hydrogen peroxide-mediated haem detoxification in Plasmodium falci... | 11514142 |
| Histidine-rich protein PFHRP-II | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of beta-hematin formation in Plasmodium falciparum | 11514142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514142 | 10.1016/s0960-894x(01)00383-3 | Plasmodium falciparum | 3 |
| 11514142 | 10.1016/s0960-894x(01)00383-3 | Histidine-rich protein PFHRP-II | 1 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine