Compound Detail
CHEMBL1609119
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CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2c(F)cc(F)cc2s1.Cl
Basic Information
| ChEMBL ID | CHEMBL1609119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCKWLVWQFZHSAE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1626420 |
| Active Moiety | CHEMBL1626420 |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
4.92
ALogP
6
HBA
0
HBD
73.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.07
IC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 6.07 | 6.07 | 855.6 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu & delta | EC50 | = | 855.6 | nM | 6.07 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Mu-type opioid receptor | EC50 | = | 5100.0 | nM | 5.29 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 35200.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine