Compound Detail
CHEMBL1096193
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Basic Information
| ChEMBL ID | CHEMBL1096193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJNYSWSPGHRGJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
4.10
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075111 | EC50 | 7.0 | 7.0 | 99.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 5.32 | 5.32 | 4763.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 99.0 | nM | 7.0 | Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequo... | 20371178 |
| Bombesin receptor subtype-3 | EC50 | = | 4763.0 | nM | 5.32 | Agonist activity at human BRS3 expressed in HEK293AEQ cells after 10 mins by aeq... | 20371178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20371178 | 10.1016/j.bmcl.2010.03.065 | Bombesin receptor subtype-3 | 4 |
Data from ChEMBL 36 via Core Engine