Compound Detail
CHEMBL3960466
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CO[C@H]1CN(c2nc3ccccc3n([C@H]3C[C@H]4CCC[C@@H](C3)N4[C@@H]3C[C@@H]4CCCC[C@@H](C4)C3)c2=O)[C@@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3960466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXVNLWJPOGOULF-VZWLKJKWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
4.60
ALogP
7
HBA
1
HBD
87.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.64
Ki 1 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 8.45 | 8.45 | 3.6 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | EC50 | 7.64 | 7.64 | 22.9 | 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 | = | 3.56 | nM | 8.45 | In Vitro ORL-1 Receptor Binding Assay: Radioligand binding assays (screening and... | - |
| Opioid growth factor receptor-like protein 1 | EC50 | = | 22.9 | nM | 7.64 | In Vitro ORL-1 Receptor Functional Assay: ORL-1 membrane solution was prepared b... | - |
Data from ChEMBL 36 via Core Engine