Compound Detail
CHEMBL4109187
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O=C(O)[C@H]1CCN1c1nc2ccccc2n([C@H]2C[C@H]3CCC[C@@H](C2)N3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)c1=O
Basic Information
| ChEMBL ID | CHEMBL4109187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQAQAGMTMTXLRQ-ASNWSZORSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.59
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
Ki 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 7.03 | 7.03 | 93.5 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | EC50 | 6.5 | 6.5 | 319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 | Ki | = | 93.5 | nM | 7.03 | In Vitro ORL-1 Receptor Binding Assay: Radioligand binding assays (screening and... | - |
| Opioid growth factor receptor-like protein 1 | EC50 | = | 319.0 | nM | 6.5 | In Vitro ORL-1 Receptor Functional Assay: ORL-1 membrane solution was prepared b... | - |
Data from ChEMBL 36 via Core Engine