Compound Detail
CHEMBL47534
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O=C(CCCCCCCCCCCN1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CCN(c2ccnc3cc(Cl)ccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL47534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTBDUEBTWDKVEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
717.8
MW (Da)
9.63
ALogP
6
HBA
0
HBD
55.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.96 | 6.96 | 108.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 108.8 | nM | 6.96 | In vitro growth inhibition of Plasmodium falciparum FcB1R | 11356101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356101 | 10.1021/jm001096a | MRC5 | 4 |
| 11356101 | 10.1021/jm001096a | ADMET | 3 |
| 11356101 | 10.1021/jm001096a | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine