Compound Detail
CHEMBL1099135
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Basic Information
| ChEMBL ID | CHEMBL1099135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQXDCLSUQHUKKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.88
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075111 | EC50 | 6.67 | 6.67 | 212.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 6.26 | 6.26 | 543.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 212.0 | nM | 6.67 | Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequo... | 20371178 |
| Bombesin receptor subtype-3 | EC50 | = | 543.0 | nM | 6.26 | 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