Compound Detail
CHEMBL1773160
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Basic Information
| ChEMBL ID | CHEMBL1773160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJTHSGQZBRXYHG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789560 |
| Active Moiety | CHEMBL1789560 |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
6.06
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.48 | 8.3867 | 3.3 | 3 |
| Ebolavirus CHEMBL4434621 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.03 | 5.03 | 9348.0 | 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 | = | 3.32 | nM | 8.48 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
| Plasmodium falciparum | IC50 | = | 3.48 | nM | 8.46 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 6.01 | nM | 8.22 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Ebolavirus | IC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against Zaire ebolavirus expressing enhanced GFP in Vero 76 c... | 21265542 |
| RAW264.7 | IC50 | = | 9348.0 | nM | 5.03 | Cytotoxicity against rat RAW264.7 cells by MTT assay | 21265542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21265542 | 10.1021/jm100938u | Plasmodium falciparum | 8 |
| 21265542 | 10.1021/jm100938u | Unchecked | 6 |
| 21265542 | 10.1021/jm100938u | RAW264.7 | 2 |
| 21265542 | 10.1021/jm100938u | Ebolavirus | 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 | Mus musculus | 1 |
| 21265542 | 10.1021/jm100938u | Plasmodium berghei | 1 |
| 21265542 | 10.1021/jm100938u | Vero | 1 |
Data from ChEMBL 36 via Core Engine