Compound Detail
CHEMBL1087200
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Basic Information
| ChEMBL ID | CHEMBL1087200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYENAQYTNXESOG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
5.43
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.57
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL4080 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | IC50 | = | 20.0 | nM | 7.7 | Binding affinity to human BRS3 | 20347296 |
| Bombesin receptor subtype-3 | EC50 | = | 27.0 | nM | 7.57 | Agonist activity at mouse BRS3 | 20347296 |
| Bombesin receptor subtype-3 | EC50 | = | 56.0 | nM | 7.25 | Agonist activity at human BRS3 | 20347296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20347296 | 10.1016/j.bmcl.2010.03.028 | Bombesin receptor subtype-3 | 5 |
Data from ChEMBL 36 via Core Engine