Compound Detail
CHEMBL438389
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL438389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWOMHJBSXPGKKS-REAJPLCASA-N |
7
Targets
16
Activities
3
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1078.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.22
IC50 6 meas. best 7.7
EC50 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 9.22 | 9.215 | 0.6 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| Substance-P receptor CHEMBL4027 | Ki | 7.48 | 7.48 | 33.0 | 2 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.35 | 7.35 | 45.0 | 2 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 7.24 | 7.24 | 57.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.14 | 7.12 | 72.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.14 | 7.14 | 72.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 8.5 | nM | Cavia porcellus |
| Ke | 8.5 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18266313 | 10.1021/jm070332f | Delta-type opioid receptor | 6 |
| 18266313 | 10.1021/jm070332f | Mu-type opioid receptor | 6 |
| 18266313 | 10.1021/jm070332f | Substance-P receptor | 5 |
| 26465170 | 10.1021/acs.jmedchem.5b01170 | Mu-type opioid receptor | 3 |
| 26465170 | 10.1021/acs.jmedchem.5b01170 | Substance-P receptor | 3 |
| 26465170 | 10.1021/acs.jmedchem.5b01170 | Delta-type opioid receptor | 3 |
| 18266313 | 10.1021/jm070332f | Unchecked | 2 |
| 26465170 | 10.1021/acs.jmedchem.5b01170 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine