Compound Detail
CHEMBL4207489
SJ-733 🧪 Phase II
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🧪 Phase II
N#Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(F)(F)F)[C@@H]2c2cccnc2)ccc1F
Basic Information
| ChEMBL ID | CHEMBL4207489 |
| Name | SJ-733 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VKCPFWKTFZAOTO-LEWJYISDSA-N |
2
Targets
7
Activities
2
Assay Types
7
PK Parameters
17
Publications
3
Known Names
1
Indications
Molecular Properties
468.4
MW (Da)
4.57
ALogP
4
HBA
1
HBD
86.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Malaria
Activity Summary
EC50 4 meas. best 8.0
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.0 | 7.6033 | 10.0 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.37 | 6.5567 | 43.0 | 3 |
| Plasmodium knowlesi CHEMBL613011 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.09 | mL.min-1.kg-1 | Mus musculus |
| F | 30.0 | % | Mus musculus |
| F | 30.0 | % | Rattus norvegicus |
| F | 30.0 | % | Rattus norvegicus |
| F | 30.0 | % | Canis lupus familiaris |
| F | 30.0 | % | Canis lupus familiaris |
| T1/2 | 1.63 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 10.0 | nM | 8.0 | Antiplasmodial activity against Plasmodium falciparum assessed as reduction in p... | 37236020 |
| Plasmodium falciparum | EC50 | = | 36.0 | nM | 7.44 | Antimalarial activity against chloroquine sensitive/sulfadoxine resistant Plasmo... | 27505686 |
| Plasmodium falciparum | EC50 | = | 43.0 | nM | 7.37 | Antiplasmodial activity against multidrug resistant asexual Plasmodium falciparu... | 39134060 |
| Plasmodium falciparum | IC50 | = | 43.0 | nM | 7.37 | Antimalarial activity against wild type Plasmodium falciparum Dd2 | 29665687 |
| Plasmodium falciparum | IC50 | = | 58.7 | nM | 7.23 | Antimalarial activity against synchronous ring stage of Plasmodium falciparum Dd... | 34058708 |
| Plasmodium knowlesi | EC50 | = | 230.0 | nM | 6.64 | Antiplasmodial activity against multidrug resistant Plasmodium knowlesi YH1 infe... | 39134060 |
| Plasmodium falciparum | IC50 | = | 8563.0 | nM | 5.07 | Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring... | 29665687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27505686 | 10.1021/acs.jmedchem.6b00752 | Unchecked | 5 |
| 27505686 | 10.1021/acs.jmedchem.6b00752 | ADMET | 4 |
| 29665687 | 10.1021/acs.jmedchem.8b00382 | Plasmodium falciparum | 3 |
| 30108934 | 10.1039/C7MD00637C | Rattus norvegicus | 2 |
| 30108934 | 10.1039/C7MD00637C | Canis familiaris | 2 |
| 37236020 | 10.1016/j.bmc.2023.117339 | Plasmodium falciparum | 2 |
| 27505686 | 10.1021/acs.jmedchem.6b00752 | Plasmodium berghei | 2 |
| 34058708 | 10.1016/j.ejmech.2021.113518 | Plasmodium falciparum | 2 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Unchecked | 1 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Plasmodium knowlesi | 1 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Plasmodium falciparum | 1 |
| 37236020 | 10.1016/j.bmc.2023.117339 | Plasmodium berghei | 1 |
| 34058708 | 10.1016/j.ejmech.2021.113518 | Unchecked | 1 |
| 27505686 | 10.1021/acs.jmedchem.6b00752 | Plasmodium falciparum | 1 |
| 30108934 | 10.1039/C7MD00637C | Mus musculus | 1 |
| 30108934 | 10.1039/C7MD00637C | Plasmodium berghei | 1 |
| 30108934 | 10.1039/C7MD00637C | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine