Compound Detail
CHEMBL1951810
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Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL1951810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNSYLTHKBVSSSE-VQTJNVASSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
547.5
MW (Da)
4.25
ALogP
3
HBA
1
HBD
83.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 10.7 | 10.49 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.02 | nM | 10.7 | Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells afte... | 22189275 |
| Substance-P receptor | IC50 | = | 0.052 | nM | 10.28 | Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells afte... | 22189275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22189275 | 10.1016/j.bmc.2011.11.048 | Cavia porcellus | 4 |
| 22189275 | 10.1016/j.bmc.2011.11.048 | Liver microsomes | 2 |
| 22189275 | 10.1016/j.bmc.2011.11.048 | Substance-P receptor | 2 |
Data from ChEMBL 36 via Core Engine