Compound Detail
CHEMBL1095184
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CCC(=O)N1C[C@H]2[C@@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1095184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVUUJSWTQQWBBJ-UXPWSPDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
3.61
ALogP
3
HBA
0
HBD
43.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]ditolylguanidine from sigma2 receptor in rat liver membrane | 20441176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20441176 | 10.1021/jm100182p | Kappa-type opioid receptor | 4 |
| 20441176 | 10.1021/jm100182p | Unchecked | 3 |
| 20441176 | 10.1021/jm100182p | Sigma non-opioid intracellular receptor 1 | 2 |
| 20441176 | 10.1021/jm100182p | Delta-type opioid receptor | 2 |
| 20441176 | 10.1021/jm100182p | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine