Compound Detail
CHEMBL1773155
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Basic Information
| ChEMBL ID | CHEMBL1773155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOVDVBWYMPJVLA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789820 |
| Active Moiety | CHEMBL1789820 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
4.07
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.15
Ki 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.15 | 5.87 | 708.3 | 3 |
| Botulinum neurotoxin type A CHEMBL5192 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 708.29 | nM | 6.15 | Antimalarial activity against Plasmodium falciparum D6 | 21265542 |
| Plasmodium falciparum | IC50 | = | 1701.59 | nM | 5.77 | Antimalarial activity against Plasmodium falciparum W2 | 21265542 |
| Plasmodium falciparum | IC50 | = | 2030.86 | nM | 5.69 | Antimalarial activity against Plasmodium falciparum C235 | 21265542 |
| Botulinum neurotoxin type A | Ki | = | 8100.0 | nM | 5.09 | 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