Compound Detail
CHEMBL1079517
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1079517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZKNYADXWAWXCN-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.22
ALogP
3
HBA
3
HBD
86.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.76
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075111 | EC50 | 6.76 | 6.76 | 174.3 | 1 |
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 6.62 | 6.62 | 237.5 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 5.72 | 5.72 | 1897.0 | 2 |
| Bombesin receptor subtype-3 CHEMBL4080 | IC50 | 5.43 | 5.43 | 3676.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 174.3 | nM | 6.76 | Agonistic activity at rat BRS3 expressed in HEK293AEO at 10 uM by aequorin biolu... | 20167483 |
| Bombesin receptor subtype-3 | EC50 | = | 237.5 | nM | 6.62 | Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin biolum... | 20167483 |
| Bombesin receptor subtype-3 | EC50 | = | 1897.0 | nM | 5.72 | Agonistic activity at human BRS3 expressed in HEK293AEO cells by aequorin biolum... | 20167483 |
| Bombesin receptor subtype-3 | EC50 | = | 1900.0 | nM | 5.72 | Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as inducti... | 24900253 |
| Bombesin receptor subtype-3 | IC50 | = | 3676.0 | nM | 5.43 | Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]bombesin from human BRS3 e... | 20167483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20167483 | 10.1016/j.bmcl.2010.01.154 | Bombesin receptor subtype-3 | 7 |
| 24900253 | 10.1021/ml100196d | Bombesin receptor subtype-3 | 2 |
| 20167483 | 10.1016/j.bmcl.2010.01.154 | Neuromedin-B receptor | 1 |
| 20167483 | 10.1016/j.bmcl.2010.01.154 | Gastrin-releasing peptide receptor | 1 |
| 24900253 | 10.1021/ml100196d | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine