Compound Detail
CHEMBL1081131
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Basic Information
| ChEMBL ID | CHEMBL1081131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXKIPYCVARNYCW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.16
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 6.29 | 6.29 | 513.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 5.27 | 5.27 | 5360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 513.0 | nM | 6.29 | Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin biolum... | 20167483 |
| Bombesin receptor subtype-3 | EC50 | = | 5360.0 | nM | 5.27 | Agonistic activity at human BRS3 expressed in HEK293AEO cells by aequorin biolum... | 20167483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20167483 | 10.1016/j.bmcl.2010.01.154 | Bombesin receptor subtype-3 | 4 |
Data from ChEMBL 36 via Core Engine