Compound Detail
CHEMBL178475
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CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(Cl)cc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL178475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGSJRBNHLQCZGX-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.3
MW (Da)
4.04
ALogP
4
HBA
2
HBD
86.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 51.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 973.55 | nM | Rattus norvegicus |
| F | 28.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| Vd | 5.4 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | IC50 | = | 0.02 | nM | 10.7 | Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membra... | 15780607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780607 | 10.1016/j.bmcl.2005.02.042 | ADMET | 5 |
| 15780607 | 10.1016/j.bmcl.2005.02.042 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine