Compound Detail
CHEMBL4127516
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COCCCOc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
Basic Information
| ChEMBL ID | CHEMBL4127516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIIUYJDPMKOTIL-RTWAWAEBSA-N |
0
Targets
0
Activities
0
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
2.12
ALogP
8
HBA
1
HBD
106.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| AUC | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29754833 | 10.1016/j.bmc.2018.04.051 | Rattus norvegicus | 4 |
| 29754833 | 10.1016/j.bmc.2018.04.051 | Renin | 3 |
| 29754833 | 10.1016/j.bmc.2018.04.051 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine