Compound Detail
CHEMBL406136
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FC(F)(F)c1cc(CO[C@H]2OCCN(Cn3cncn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL406136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPCSRVFBMVQSZ-VQTJNVASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
4.89
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.13 | nM | 9.89 | Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in ... | 8627597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627597 | 10.1021/jm950654w | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine