Compound Detail
CHEMBL469313
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Basic Information
| ChEMBL ID | CHEMBL469313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSUFSTNNCAPUMT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.7
MW (Da)
3.53
ALogP
5
HBA
1
HBD
65.6
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 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 61.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 510.0 | nM | 6.29 | 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 | Rattus norvegicus | 3 |
| 18818070 | 10.1016/j.bmcl.2008.09.033 | Bombesin receptor subtype-3 | 2 |
Data from ChEMBL 36 via Core Engine