Compound Detail
CHEMBL523156
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Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL523156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBBYBXSFWOLDDG-XOBRGWDASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
5.93
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 3.715 | nM | 8.43 | Displacement of [3H]substance P from human recombinant NK1 receptor expressed in... | 19388677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19388677 | 10.1021/jm900023b | Meriones unguiculatus | 1 |
| 19388677 | 10.1021/jm900023b | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine