Compound Detail
CHEMBL169703
TIFLUADOM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL169703 |
| Name | TIFLUADOM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NPGABYHTDVGGJK-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
2
Known Names
Molecular Properties
393.5
MW (Da)
3.97
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Ki 5 meas. best 9.77
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.71 | 8.71 | 1.9 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.17 | nM | 9.77 | Binding affinity to kappa opioid receptor | 20478711 |
| Kappa-type opioid receptor | Ki | = | 0.78 | nM | 9.11 | Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]U-65693... | 8632410 |
| Mu-type opioid receptor | Ki | = | 1.93 | nM | 8.71 | Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in... | 8632410 |
| Cholecystokinin receptor type A | IC50 | = | 47.0 | nM | 7.33 | Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat p... | 2153212 |
| Cholecystokinin receptor type A | Ki | = | 47.0 | nM | 7.33 | Binding affinity against Cholecystokinin type A receptor using [125I](BH)-CCK-8 ... | 8632410 |
| Delta-type opioid receptor | Ki | = | 153.0 | nM | 6.82 | Binding affinity against Opioid receptor delta 1 using [3H]DADLE as radioligand ... | 8632410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153212 | 10.1021/jm00163a069 | Cholecystokinin receptor type A | 1 |
| 2153212 | 10.1021/jm00163a069 | Gastrin/cholecystokinin type B receptor | 1 |
| 8632410 | 10.1021/jm950423p | Kappa-type opioid receptor | 1 |
| 8632410 | 10.1021/jm950423p | Mu-type opioid receptor | 1 |
| 8632410 | 10.1021/jm950423p | Delta-type opioid receptor | 1 |
| 8632410 | 10.1021/jm950423p | Cholecystokinin receptor type A | 1 |
| 8632410 | 10.1021/jm950423p | Gastrin/cholecystokinin type B receptor | 1 |
| 20478711 | 10.1016/j.bmc.2010.04.069 | Kappa-type opioid receptor | 1 |
| 20478711 | 10.1016/j.bmc.2010.04.069 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine