Compound Detail
CHEMBL3961680
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NC1(C(=O)O)CN(c2nc3ccccc3n([C@H]3C[C@H]4CCC[C@@H](C3)N4[C@@H]3C[C@@H]4CCCC[C@@H](C4)C3)c2=O)C1
Basic Information
| ChEMBL ID | CHEMBL3961680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQBWWKHQCWLSI-SSIAJPCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
3.92
ALogP
7
HBA
2
HBD
104.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 9.66 | 9.66 | 0.2 | 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 | = | 0.22 | nM | 9.66 | In Vitro ORL-1 Receptor Binding Assay: Radioligand binding assays (screening and... | - |
Data from ChEMBL 36 via Core Engine