Compound Detail
CHEMBL1773165
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Cc1cc(NCCCN2CCOCC2)c2ccc3c(ccc4c(NCCCN5CCOCC5)cc(C)nc43)c2n1.Cl
Basic Information
| ChEMBL ID | CHEMBL1773165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLICRLAGHZBDLD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789353 |
| Active Moiety | CHEMBL1789353 |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
4.82
ALogP
8
HBA
2
HBD
74.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.7 | 8.3567 | 2.0 | 3 |
| Ebolavirus CHEMBL4434621 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.13 | 5.13 | 7481.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 0.6667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.0 | nM | 8.7 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 5.23 | nM | 8.28 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Plasmodium falciparum | IC50 | = | 8.05 | nM | 8.09 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
| Ebolavirus | IC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against Zaire ebolavirus expressing enhanced GFP in Vero 76 c... | 21265542 |
| RAW264.7 | IC50 | = | 7481.0 | nM | 5.13 | 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 | Ebolavirus | 2 |
| 21265542 | 10.1021/jm100938u | Botulinum neurotoxin type A | 1 |
| 21265542 | 10.1021/jm100938u | Liver | 1 |
| 21265542 | 10.1021/jm100938u | Liver microsomes | 1 |
| 21265542 | 10.1021/jm100938u | NON-PROTEIN TARGET | 1 |
| 21265542 | 10.1021/jm100938u | Vero | 1 |
Data from ChEMBL 36 via Core Engine