Compound Detail
CHEMBL298436
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O=C(CCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CCN(c2ccnc3cc(Cl)ccc23)CC1)N(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12
Basic Information
| ChEMBL ID | CHEMBL298436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTGQCZFPVPVWRI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
974.8
MW (Da)
10.87
ALogP
10
HBA
2
HBD
122.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.82 | 6.82 | 152.2 | 2 |
| ScN2a CHEMBL613872 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 152.2 | nM | 6.82 | In vitro growth inhibition of Plasmodium falciparum FcB1R | 11356101 |
| Plasmodium falciparum | IC50 | = | 152.2 | nM | 6.82 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 16913719 |
| ScN2a | EC50 | = | 3000.0 | nM | 5.52 | Inhibition of scrapie prion formation in mouse ScN2a cell line relative to contr... | 16913719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356101 | 10.1021/jm001096a | MRC5 | 4 |
| 16913719 | 10.1021/jm0602763 | ScN2a | 4 |
| 11356101 | 10.1021/jm001096a | ADMET | 3 |
| 16913719 | 10.1021/jm0602763 | MRC5 | 2 |
| 11356101 | 10.1021/jm001096a | Plasmodium falciparum | 1 |
| 16913719 | 10.1021/jm0602763 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine