Compound Detail
CHEMBL1773161
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Cc1cc(NCCCN2CCCC2)c2ccc3c(ccc4c(NCCCN5CCCC5)cc(C)nc43)c2n1.Cl
Basic Information
| ChEMBL ID | CHEMBL1773161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZTIZLSHGGBHCA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789561 |
| Active Moiety | CHEMBL1789561 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
6.35
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.11 | 7.8 | 7.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7.75 | nM | 8.11 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 14.84 | nM | 7.83 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Plasmodium falciparum | IC50 | = | 34.29 | nM | 7.46 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21265542 | 10.1021/jm100938u | Plasmodium falciparum | 8 |
| 21265542 | 10.1021/jm100938u | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine