Compound Detail
CHEMBL1795904
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
CCn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCCOC)cc(OCCOC)c2)C2CC2)cc1=O
Basic Information
| ChEMBL ID | CHEMBL1795904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXBFXWNMQYOMAF-IZLXSDGUSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
525.7
MW (Da)
3.36
ALogP
7
HBA
1
HBD
82.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 6.7 | 6.52 | 200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 1.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant renin using Q-FRET substrate after 3 hrs by fluo... | 21621998 |
| Renin | IC50 | = | 460.0 | nM | 6.34 | Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 min... | 21621998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21621998 | 10.1016/j.bmcl.2011.05.013 | Renin | 2 |
| 21621998 | 10.1016/j.bmcl.2011.05.013 | Cytochrome P450 3A4 | 2 |
| 21621998 | 10.1016/j.bmcl.2011.05.013 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21621998 | 10.1016/j.bmcl.2011.05.013 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine