Compound Detail
CHEMBL1773156
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Basic Information
| ChEMBL ID | CHEMBL1773156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAGQESQSXIANBJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789833 |
| Active Moiety | CHEMBL1789833 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.29
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Ki 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.57 | 6.2067 | 270.3 | 3 |
| Botulinum neurotoxin type A CHEMBL5192 | Ki | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 270.29 | nM | 6.57 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Plasmodium falciparum | IC50 | = | 871.25 | nM | 6.06 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 1021.04 | nM | 5.99 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
| Botulinum neurotoxin type A | Ki | = | 8700.0 | nM | 5.06 | Inhibition of clostridium botulinum Botulinum neurotoxin type A light chain at 2... | 21265542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21265542 | 10.1021/jm100938u | Plasmodium falciparum | 8 |
| 21265542 | 10.1021/jm100938u | Botulinum neurotoxin type A | 2 |
Data from ChEMBL 36 via Core Engine