Compound Detail
CHEMBL3262553
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Basic Information
| ChEMBL ID | CHEMBL3262553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATGGZTWGPMWHPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
6.68
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.78 | 6.78 | 167.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 167.8 | nM | 6.78 | Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell ... | 24657054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24657054 | 10.1016/j.bmc.2014.02.047 | Mu-type opioid receptor | 3 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Nociceptin receptor | 1 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Kappa-type opioid receptor | 1 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine