Compound Detail
CHEMBL519301
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Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1
Basic Information
| ChEMBL ID | CHEMBL519301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNINLMKBPVLEPL-KDOFPFPSSA-N |
1
Targets
1
Activities
1
Assay Types
7
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
2.11
ALogP
5
HBA
1
HBD
96.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 83350000.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 762.0 | nM | Rattus norvegicus |
| Cmax | 151.0 | nM | Rattus norvegicus |
| MRT | 2.4 | hr | Rattus norvegicus |
| T1/2 | 2.4 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 0.3981 | nM | 9.4 | Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay | 19128969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19128969 | 10.1016/j.bmcl.2008.12.042 | Rattus norvegicus | 8 |
| 19128969 | 10.1016/j.bmcl.2008.12.042 | Growth hormone secretagogue receptor type 1 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine