Compound Detail
CHEMBL1407554
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CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2c(F)cccc2s1.Cl
Basic Information
| ChEMBL ID | CHEMBL1407554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEBRTAHIIPWQQK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1619718 |
| Active Moiety | CHEMBL1619718 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
4.85
ALogP
6
HBA
0
HBD
73.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 5.3 | 5.3 | 4974.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.58 | 4.58 | 26183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu & delta | EC50 | = | 4974.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Mu-type opioid receptor | EC50 | = | 26183.0 | nM | 4.58 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
Data from ChEMBL 36 via Core Engine