Compound Detail
CHEMBL5173264
INE-963 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL5173264 |
| Name | INE-963 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JYHSRMKXBAPFST-UHFFFAOYSA-N |
9
Targets
12
Activities
2
Assay Types
30
PK Parameters
17
Publications
2
Known Names
1
Indications
Molecular Properties
402.5
MW (Da)
2.27
ALogP
9
HBA
2
HBD
101.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Malaria, Falciparum
Activity Summary
IC50 7 meas. best 5.44
EC50 5 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 9.4 | 8.665 | 0.4 | 4 |
| Plasmodium vivax CHEMBL613013 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Cytochrome P450 2B6 CHEMBL4729 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8690.41 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5100.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 770.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2300.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 680.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1800.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1300.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 3500.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 6900.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 16700.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1700.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4500.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8200.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 29800.0 | ng.hr.mL-1 | Mus musculus |
| CL | 25.4 | mL.min-1.g-1 | Homo sapiens |
| CL | 29.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 25.0 | mL.min-1.g-1 | Mus musculus |
| CL | 4.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 25.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 4.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 5.9 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 5.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 397.5 | nM | Mus musculus |
| Cmax | 198.75 | nM | Mus musculus |
| Cmax | 3726.52 | nM | Mus musculus |
| Cmax | 996.0 | nM | Rattus norvegicus |
| Cmax | 1465.77 | nM | Mus musculus |
| Cmax | 397.5 | nM | Mus musculus |
| Cmax | 993.74 | nM | Mus musculus |
| Cmax | 1490.61 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine