Compound Detail
CHEMBL3990145
IMARIKIREN 🧪 Phase II
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🧪 Phase II
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3990145 |
| Name | IMARIKIREN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RHIBAIKQWJNESW-YADHBBJMSA-N |
3
Targets
5
Activities
1
Assay Types
10
PK Parameters
5
Publications
5
Known Names
1
Mechanisms
Molecular Properties
499.7
MW (Da)
2.40
ALogP
7
HBA
1
HBD
88.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Renin inhibitor | INHIBITOR | Renin | ✓ | ✓ |
Activity Summary
IC50 5 meas. best 9.37
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 92.2 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 68.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 128.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 323.0 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 25.9 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.25 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 58.24 | nM | Macaca fascicularis |
| F | 14.0 | % | Rattus norvegicus |
| F | 25.0 | % | Macaca fascicularis |
| Tmax | 1.67 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.43 | nM | 9.37 | Inhibition of recombinant human renin using angiotensinogen as substrate pretrea... | 29754833 |
| Renin | IC50 | = | 0.84 | nM | 9.08 | Inhibition of recombinant human renin using angiotensinogen as substrate pretrea... | 29754833 |
| Renin | IC50 | = | 1.4 | nM | 8.85 | Inhibition of renin in human plasma by radioimmunoassay | 29754833 |
| Renin | IC50 | = | 1.5 | nM | 8.82 | Inhibition of renin in monkey plasma | 29754833 |
| Renin | IC50 | = | 310.0 | nM | 6.51 | Inhibition of renin in rat plasma | 29754833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29754833 | 10.1016/j.bmc.2018.04.051 | Cynomolgus monkey | 8 |
| 29754833 | 10.1016/j.bmc.2018.04.051 | Renin | 5 |
| 29754833 | 10.1016/j.bmc.2018.04.051 | Rattus norvegicus | 4 |
| 29754833 | 10.1016/j.bmc.2018.04.051 | No relevant target | 2 |
| 29754833 | 10.1016/j.bmc.2018.04.051 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine