Compound Detail
CHEMBL23073
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CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CCOC(C)=O)c2cc3ccccc3cc21.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL23073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLTKBQDJPSXVHC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1178355 |
| Active Moiety | CHEMBL1178355 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
5.99
ALogP
4
HBA
0
HBD
38.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL4027 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 410.0 | nM | 6.39 | Inhibition of Tachykinin receptor 1 of rat forebrain tissue | 1373191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1373191 | 10.1021/jm00085a015 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine