Compound Detail
CHEMBL1762397
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Basic Information
| ChEMBL ID | CHEMBL1762397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWYCTZMTDROLEE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.46
ALogP
5
HBA
3
HBD
89.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.51 | 5.51 | 3079.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.48 | 5.48 | 3345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | IC50 | = | 83.0 | nM | 7.08 | Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in huma... | 21330016 |
| Kappa-type opioid receptor | IC50 | = | 3079.0 | nM | 5.51 | Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in h... | 21330016 |
| Mu-type opioid receptor | IC50 | = | 3345.0 | nM | 5.48 | Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO ... | 21330016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21330016 | 10.1016/j.ejmech.2011.01.040 | Nociceptin receptor | 2 |
| 21330016 | 10.1016/j.ejmech.2011.01.040 | Unchecked | 2 |
| 21330016 | 10.1016/j.ejmech.2011.01.040 | Delta-type opioid receptor | 1 |
| 21330016 | 10.1016/j.ejmech.2011.01.040 | Kappa-type opioid receptor | 1 |
| 21330016 | 10.1016/j.ejmech.2011.01.040 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine