Compound Detail
CHEMBL100111
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Basic Information
| ChEMBL ID | CHEMBL100111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKHJYMVGYOEDCF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
4.01
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.38 | 7.935 | 4.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 4.2 | nM | 8.38 | Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the... | 2170652 |
| Mu-type opioid receptor | Ki | = | 32.2 | nM | 7.49 | Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the... | 2170652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2170652 | 10.1021/jm00172a032 | Mus musculus | 4 |
| 2170652 | 10.1021/jm00172a032 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine