Compound Detail
CHEMBL3115377
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Basic Information
| ChEMBL ID | CHEMBL3115377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUIIMTOHWFLGKE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
4.28
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 7.28 | 7.28 | 52.0 | 2 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 7.23 | 7.23 | 59.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 52.0 | nM | 7.28 | Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assa... | 24412111 |
| Bombesin receptor subtype-3 | EC50 | = | 52.0 | nM | 7.28 | Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay | 25497965 |
| Bombesin receptor subtype-3 | EC50 | = | 59.0 | nM | 7.23 | Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assa... | 24412111 |
| Bombesin receptor subtype-3 | EC50 | = | 59.0 | nM | 7.23 | 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