Compound Detail
CHEMBL3969876
IMARIKIREN HYDROCHLORIDE 🧪 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.Cl
Basic Information
| ChEMBL ID | CHEMBL3969876 |
| Name | IMARIKIREN HYDROCHLORIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PUXOYQIZZIWCHH-NSLUPJTDSA-N |
| Parent Compound | CHEMBL3990145 |
| Active Moiety | CHEMBL3990145 |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
5
Publications
3
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 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 107.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 38.93 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 34.02 | nM | Rattus norvegicus |
| F | 25.2 | % | Rattus norvegicus |
| MRT | 1.1 | hr | Rattus norvegicus |
| T1/2 | 3.3 | hr | Rattus norvegicus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 2.1 | nM | 8.68 | Inhibition of renin in human plasma by radioimmunoassay | 27774132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27774132 | 10.1021/acsmedchemlett.6b00251 | ADMET | 9 |
| 27774132 | 10.1021/acsmedchemlett.6b00251 | NON-PROTEIN TARGET | 4 |
| 27774132 | 10.1021/acsmedchemlett.6b00251 | Cathepsin D | 1 |
| 27774132 | 10.1021/acsmedchemlett.6b00251 | Unchecked | 1 |
| 27774132 | 10.1021/acsmedchemlett.6b00251 | Renin | 1 |
Data from ChEMBL 36 via Core Engine