Compound Detail
CHEMBL2387335
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Basic Information
| ChEMBL ID | CHEMBL2387335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFNVHOJPCBLNLM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2387334 |
| Active Moiety | CHEMBL2387334 |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.02
ALogP
4
HBA
0
HBD
60.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.5
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 3200.0 | nM | 5.5 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 ... | 23623418 |
| Mu-type opioid receptor | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of e... | 23623418 |
| Delta-type opioid receptor | Ki | = | 36000.0 | nM | 4.44 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN... | 23623418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Mu-type opioid receptor | 2 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine