Compound Detail
CHEMBL278487
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C=CC[N+]12CCC(CC1)[C@H](NCc1ccccc1OC)[C@@H]2C(c1ccccc1)c1ccccc1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL278487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWRLFUZLPWMRNS-ZYJCGITOSA-M |
| Parent Compound | CHEMBL1183074 |
| Active Moiety | CHEMBL1183074 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.78
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.65 | 7.65 | 22.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 22.3 | nM | 7.65 | Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80246-8 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine