Compound Detail
CHEMBL56427
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Basic Information
| ChEMBL ID | CHEMBL56427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYAGVGRXHALGSE-RUZDIDTESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
5.58
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.26 | 8.26 | 5.5 | 2 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 5.5 | nM | 8.26 | Binding affinity towards human Tachykinin receptor 1 expressed in CHO cells by t... | - |
| Substance-P receptor | IC50 | = | 5.495 | nM | 8.26 | Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed... | 9733486 |
| Voltage-gated L-type calcium channel | IC50 | = | 980.0 | nM | 6.01 | Antagonistic activity at L-type calcium channel by displacement of [3H]diltiazem... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80531-X | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(01)80531-X | Voltage-gated L-type calcium channel | 1 |
| 9733486 | 10.1021/jm9700171 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine