Compound Detail
CHEMBL3647962
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C[C@@H]1C[C@@H]2C[C@H](C1)C[C@@H](N1[C@@H]3CCC[C@H]1C[C@@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2
Basic Information
| ChEMBL ID | CHEMBL3647962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWAGGONYNCKXDC-PCXLCNFCSA-N |
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.87
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.96
EC50 1 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | EC50 | 9.26 | 9.26 | 0.6 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.21 | 7.21 | 61.6 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.12 | 6.8 | 75.4 | 3 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.16 | 6.16 | 691.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine