Compound Detail
CHEMBL324236
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CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@H]1CN(CC3CC3)CC[C@]1(c1cccc(O)c1)C2
Basic Information
| ChEMBL ID | CHEMBL324236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZFVGUITQLZSOU-KDYSTLNUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
4.28
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 7.85 | 7.85 | 14.1 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | Ki | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 1.7 | nM | 8.77 | Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enke... | 9379438 |
| Mu-type opioid receptor | Ki | = | 14.1 | nM | 7.85 | Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5... | 9379438 |
| Kappa-type opioid receptor | Ki | = | 63.1 | nM | 7.2 | Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 9379438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379438 | 10.1021/jm9608218 | Delta-type opioid receptor | 1 |
| 9379438 | 10.1021/jm9608218 | Mu-type opioid receptor | 1 |
| 9379438 | 10.1021/jm9608218 | Kappa-type opioid receptor | 1 |
| 9379438 | 10.1021/jm9608218 | Opioid receptors; mu and delta | 1 |
| 9379438 | 10.1021/jm9608218 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine