Compound Detail
CHEMBL607480
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL607480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXOXCVOYUDIQCK-OZXSUGGESA-N |
3
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
3.02
ALogP
7
HBA
4
HBD
150.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.68
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 10.68 | 10.68 | 0.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.5 | 5.5 | 3193.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.27 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.021 | nM | 10.68 | Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synap... | 12459023 |
| Mu-type opioid receptor | Ki | = | 6.92 | nM | 8.16 | Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptoso... | 12459023 |
| Mu-type opioid receptor | IC50 | = | 3193.0 | nM | 5.5 | In vitro inhibitory activity against electrically evoked contractions of guinea ... | 12459023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12459023 | 10.1021/jm020336e | Delta-type opioid receptor | 2 |
| 12459023 | 10.1021/jm020336e | Mu-type opioid receptor | 2 |
| 12459023 | 10.1021/jm020336e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine