Compound Detail
CHEMBL1082041
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Basic Information
| ChEMBL ID | CHEMBL1082041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPOMHLWNVYEWLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
5.23
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 6.06 | 6.06 | 872.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 5.3 | 5.3 | 4949.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 872.0 | nM | 6.06 | Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin biolum... | 20167483 |
| Bombesin receptor subtype-3 | EC50 | = | 4949.0 | nM | 5.3 | 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