Compound Detail
CHEMBL1082723
CIPARGAMIN 🧪 Phase II
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🧪 Phase II
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL1082723 |
| Name | CIPARGAMIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CKLPLPZSUQEDRT-WPCRTTGESA-N |
5
Targets
49
Activities
2
Assay Types
30
PK Parameters
20
Publications
8
Known Names
2
Indications
1
Mechanisms
Molecular Properties
390.2
MW (Da)
4.34
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| P-type ATPase inhibitor | INHIBITOR | P-type ATPase | ✓ | ✓ |
Indications
Malaria Malaria, Falciparum
Activity Summary
IC50 38 meas. best 9.36
EC50 11 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.36 | 8.89 | 0.4 | 33 |
| Plasmodium falciparum CHEMBL364 | EC50 | 9.3 | 9.2591 | 0.5 | 11 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.27 | 5.27 | 5420.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.52 | 4.52 | 30440.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9318.93 | ng.hr.mL-1 | Mus musculus |
| AUC | 54106.78 | ng.hr.mL-1 | Mus musculus |
| AUC | 23929.52 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 204544.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 9318.93 | ng.hr.mL-1 | Mus musculus |
| AUC | 54106.78 | ng.hr.mL-1 | Mus musculus |
| AUC | 23929.52 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 204680.88 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 36000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 15000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 29400.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 9.75 | mL.min-1.kg-1 | Mus musculus |
| CL | 9.75 | mL.min-1.kg-1 | Mus musculus |
| CL | 3.48 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 49.74 | mL.min-1.kg-1 | Mus musculus |
| CL | 5.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 22.07 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 6.05 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 8.67 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.8 | mL.min-1.kg-1 | Mus musculus |
| CL | 8.71 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 9.75 | mL.min-1.kg-1 | Mus musculus |
| CL | 3.48 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.2 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.35 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 9170.0 | nM | Mus musculus |
| Cmax | 11680.0 | nM | Rattus norvegicus |
| Cmax | 3100.66 | nM | Rattus norvegicus |
| Cmax | 2224.27 | nM | Canis lupus familiaris |
| Cmax | 5125.05 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine