Compound Detail
CHEMBL3704619
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COc1cnc(-c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)N3[C@@H]2C[C@@H]3CCCC[C@@H](C3)C2)cn1
Basic Information
| ChEMBL ID | CHEMBL3704619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NORRMTRHMDODPV-ZWZZYCPGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
6.42
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 9.04 | 9.04 | 0.9 | 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 | = | 0.92 | nM | 9.04 | Radioligand Binding Assay: Radioligand binding assays (screening and dose-displa... | - |
| Nociceptin receptor | Ki | = | 0.92 | nM | 9.04 | In Vitro Delta-Opioid Receptor Binding Assay: δ-Opioid Receptor Binding Assay Pr... | - |
Data from ChEMBL 36 via Core Engine