Compound Detail
CHEMBL200392
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Basic Information
| ChEMBL ID | CHEMBL200392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXUQCZUYPJRTII-KPVNRNJOSA-N |
| Parent Compound | CHEMBL1908876 |
| Active Moiety | CHEMBL1908876 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.02
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.2 | nM | 8.92 | Displacement of [3H]DAMGO from recombinant human mu opioid receptor | 16302812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302812 | 10.1021/jm0507274 | Mus musculus | 4 |
| 37145921 | 10.1021/acs.jmedchem.2c01965 | No relevant target | 3 |
| 16302812 | 10.1021/jm0507274 | Mu-type opioid receptor | 1 |
| 16302812 | 10.1021/jm0507274 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine