Compound Detail
CHEMBL450593
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Basic Information
| ChEMBL ID | CHEMBL450593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQSPJBNOQWTWFM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
3.74
ALogP
4
HBA
1
HBD
56.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 210.0 | nM | 6.68 | Agonist activity at recombinant BRS-3 receptor expressed in baculovirus-transduc... | 18818070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18818070 | 10.1016/j.bmcl.2008.09.033 | Bombesin receptor subtype-3 | 2 |
Data from ChEMBL 36 via Core Engine