Compound Detail
CHEMBL1084698
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Basic Information
| ChEMBL ID | CHEMBL1084698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQAANMZRUFVVIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.90
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 8.15 | 8.15 | 7.1 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 6.23 | 6.23 | 588.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 7.1 | nM | 8.15 | Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin biolum... | 20167483 |
| Bombesin receptor subtype-3 | EC50 | = | 588.0 | nM | 6.23 | 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