Compound Detail
CHEMBL1773073
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Cc1cc(NCCN2CCOCC2)c2ccc3c(ccc4c(NCCN5CCOCC5)cc(C)nc43)c2n1.Cl
Basic Information
| ChEMBL ID | CHEMBL1773073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUIZPRDRYUKXKP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789793 |
| Active Moiety | CHEMBL1789793 |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
4.04
ALogP
8
HBA
2
HBD
74.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.23 | 8.15 | 5.9 | 3 |
| RAW264.7 CHEMBL612557 | IC50 | 4.99 | 4.99 | 10174.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.93 | nM | 8.23 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Plasmodium falciparum | IC50 | = | 6.12 | nM | 8.21 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 9.84 | nM | 8.01 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
| RAW264.7 | IC50 | = | 10174.0 | nM | 4.99 | Cytotoxicity against rat RAW264.7 cells by MTT assay | 21265542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21265542 | 10.1021/jm100938u | Unchecked | 8 |
| 21265542 | 10.1021/jm100938u | Plasmodium falciparum | 8 |
| 21265542 | 10.1021/jm100938u | RAW264.7 | 2 |
| 21265542 | 10.1021/jm100938u | Liver | 1 |
| 21265542 | 10.1021/jm100938u | Liver microsomes | 1 |
| 21265542 | 10.1021/jm100938u | Botulinum neurotoxin type A | 1 |
| 21265542 | 10.1021/jm100938u | NON-PROTEIN TARGET | 1 |
| 21265542 | 10.1021/jm100938u | Ebolavirus | 1 |
Data from ChEMBL 36 via Core Engine