Compound Detail
CHEMBL145103
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Basic Information
| ChEMBL ID | CHEMBL145103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXGPTRVARWWDQI-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.37
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 6.25 | 5.99 | 556.0 | 2 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341575 | IC50 | 6.2 | 5.725 | 632.0 | 2 |
| Substance-P receptor CHEMBL249 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 556.0 | nM | 6.25 | Antagonist activity at MrgX1 (unknown origin) by beta-lactamase reporter gene as... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 632.0 | nM | 6.2 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as intracellul... | - |
| Substance-P receptor | IC50 | = | 950.0 | nM | 6.02 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 1850.0 | nM | 5.73 | Binding affinity to recombinant MrgX1 (unknown origin) by chromatography-based t... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 5600.0 | nM | 5.25 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as action pote... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490729 | 10.1021/jm00024a007 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine