Compound Detail
CHEMBL92818
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Basic Information
| ChEMBL ID | CHEMBL92818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYZIPLMTFSGKAJ-OAHLLOKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.3
MW (Da)
4.94
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.89 | 7.89 | 13.0 | 2 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 13.0 | nM | 7.89 | Binding affinity to human Tachykinin receptor 1 | - |
| Substance-P receptor | IC50 | = | 13.0 | nM | 7.89 | Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 ... | 9871627 |
| Voltage-gated L-type calcium channel | IC50 | = | 580.0 | nM | 6.24 | Inhibition of binding to L-type [Ca2+] channel | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00476-A | Substance-P receptor | 1 |
| - | 10.1016/0960-894X(95)00476-A | Voltage-gated L-type calcium channel | 1 |
| - | 10.1016/0960-894X(95)00476-A | No relevant target | 1 |
| 9871627 | 10.1016/s0960-894x(97)10163-9 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine