Compound Detail
CHEMBL318388
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CC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@H](C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL318388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXUIHUMZWSTGCD-UOMGRKEQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
911.1
MW (Da)
0.80
ALogP
11
HBA
8
HBD
279.8
PSA (Ų)
0.05
QED
3
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.53 | nM | 9.28 | In vitro inhibitory activity against human plasma renin | 3275777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3275777 | 10.1021/jm00396a006 | Renin | 1 |
Data from ChEMBL 36 via Core Engine