Compound Detail
CHEMBL113841
ZANKIREN 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL113841 |
| Name | ZANKIREN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YFDSDRDMDDGDFC-HOQQKOLYSA-N |
2
Targets
7
Activities
1
Assay Types
9
PK Parameters
11
Publications
4
Known Names
Molecular Properties
706.0
MW (Da)
2.83
ALogP
9
HBA
4
HBD
152.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 7 meas. best 9.7
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3800.0 | ng.hr.mL-1 | Simiiformes |
| AUC | 340.0 | ng.hr.mL-1 | Simiiformes |
| AUC | 1500.0 | ng.hr.mL-1 | Mustela putorius furo |
| AUC | 620.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 0.43 | ul ml-1 | - |
| Cmax | 1.15 | ul ml-1 | - |
| F | 5.1 | % | Simiiformes |
| F | 82.0 | % | Mustela putorius furo |
| F | 23.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.2 | nM | 9.7 | In vitro inhibitory concentration against human plasma renin at pH 7.4 | 8474102 |
| Renin | IC50 | = | 0.24 | nM | 9.62 | In vitro inhibitory concentration against monkey plasma renin at pH 7.4 | 8474102 |
| Renin | IC50 | = | 1.1 | nM | 8.96 | Inhibition activity against human plasma renin at pH=7.4. | 10669559 |
| Renin | IC50 | = | 1.1 | nM | 8.96 | In vitro inhibitory concentration against human plasma renin at pH 7.4 | 8474102 |
| Renin | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human recombinant rennin in human plasma assessed as accumulation ... | 19358611 |
| Renin | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibitory concentration against dog plasma renin at pH 7.4 | 8474102 |
| Renin | IC50 | = | 1400.0 | nM | 5.85 | In vitro inhibitory concentration against rat plasma renin at pH 7.4 | 8474102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8474102 | 10.1021/jm00056a006 | ADMET | 8 |
| 8474102 | 10.1021/jm00056a006 | Renin | 5 |
| 8474102 | 10.1021/jm00056a006 | Rattus norvegicus | 4 |
| 10669559 | 10.1021/jm990412m | ADMET | 3 |
| 8474102 | 10.1021/jm00056a006 | No relevant target | 2 |
| 8474102 | 10.1021/jm00056a006 | Mustela putorius furo | 2 |
| 10669559 | 10.1021/jm990412m | Canis familiaris | 1 |
| 10669559 | 10.1021/jm990412m | Rattus norvegicus | 1 |
| 10669559 | 10.1021/jm990412m | Mustela putorius furo | 1 |
| 10669559 | 10.1021/jm990412m | Renin | 1 |
| 19358611 | 10.1021/jm900022f | Renin | 1 |
Data from ChEMBL 36 via Core Engine