Compound Detail
CHEMBL27161
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Basic Information
| ChEMBL ID | CHEMBL27161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOLMFFFPKWMDPL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.80
ALogP
5
HBA
0
HBD
45.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cricetinae gen. sp. CHEMBL612361 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 1.4 | nM | 8.85 | Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cell... | 10340623 |
| Mus musculus | IC50 | = | 100.0 | nM | 7.0 | Potency in the Mouse vas deferens (MVD) functional assay was determined in vivo | 10340623 |
| Cricetinae gen. sp. | IC50 | = | 2511.89 | nM | 5.6 | Potency in the Hamster vas deferens (HVD) functional assay was determined in viv... | 10340623 |
| Kappa-type opioid receptor | IC50 | = | 3900.0 | nM | 5.41 | Binding affinity towards Opioid receptor kappa 1 using [3H]- U-69,593 (1.5 nM) a... | 10340623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Mus musculus | 3 |
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Cricetinae gen. sp. | 2 |
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Delta-type opioid receptor | 1 |
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Mu-type opioid receptor | 1 |
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine