Compound Detail
CHEMBL3612241
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Basic Information
| ChEMBL ID | CHEMBL3612241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEAQOMPHYCZTAC-UATJXVQHSA-N |
| Parent Compound | CHEMBL3614091 |
| Active Moiety | CHEMBL3614091 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.89
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.57 | 5.57 | 2690.0 | 1 |
| Mu opioid receptor-like OR2 CHEMBL3611961 | Ki | 5.08 | 5.08 | 8240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2690.0 | nM | 5.57 | Displacement of [3H]-diprenorphine from opioid receptor in rat brain membrane ho... | 26134550 |
| Mu opioid receptor-like OR2 | Ki | = | 8240.0 | nM | 5.08 | Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed i... | 26134550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26134550 | 10.1016/j.ejmech.2015.06.025 | Unchecked | 1 |
| 26134550 | 10.1016/j.ejmech.2015.06.025 | Mu opioid receptor-like OR2 | 1 |
Data from ChEMBL 36 via Core Engine