Compound Detail
CHEMBL3115373
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Basic Information
| ChEMBL ID | CHEMBL3115373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJQXUKQOWMYKLY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
4.59
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 8.55 | 8.55 | 2.8 | 2 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 8.02 | 8.02 | 9.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 2.8 | nM | 8.55 | Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assa... | 24412111 |
| Bombesin receptor subtype-3 | EC50 | = | 2.8 | nM | 8.55 | Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay | 25497965 |
| Bombesin receptor subtype-3 | EC50 | = | 9.5 | nM | 8.02 | Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assa... | 24412111 |
| Bombesin receptor subtype-3 | EC50 | = | 9.5 | nM | 8.02 | Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay | 25497965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24412111 | 10.1016/j.bmcl.2013.12.106 | Bombesin receptor subtype-3 | 2 |
| 25497965 | 10.1016/j.bmc.2014.11.018 | Bombesin receptor subtype-3 | 2 |
| 24412111 | 10.1016/j.bmcl.2013.12.106 | No relevant target | 1 |
| 25497965 | 10.1016/j.bmc.2014.11.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine