Compound Detail
CHEMBL4593256
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COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2Cc2ccc(C(=O)O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4593256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJZYPBUVSRXPNY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
6.60
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human BRS3 expressed in CHOK1 cells measured after 1 hrs by ... | 27491709 |
| Bombesin receptor subtype-3 | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at mouse BRS3 expressed in CHOK1 cells measured after 1 hrs by ... | 27491709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27491709 | 10.1016/j.bmcl.2016.07.056 | Bombesin receptor subtype-3 | 2 |
Data from ChEMBL 36 via Core Engine