Compound Detail
CHEMBL329105
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Basic Information
| ChEMBL ID | CHEMBL329105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOGIZHLZCSGUAE-MRXNPFEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
4.06
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity to human Tachykinin receptor 1 | - |
| Substance-P receptor | IC50 | = | 8.0 | nM | 8.1 | Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 ... | 9871627 |
| Voltage-gated L-type calcium channel | IC50 | = | 2300.0 | nM | 5.64 | 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 |
| 9871627 | 10.1016/s0960-894x(97)10163-9 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine