Compound Detail
CHEMBL519770
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CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL519770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZELLTUSIYXKRX-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
5.31
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 8.9 | 8.9 | 1.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| Cmax | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 1.259 | nM | 8.9 | Binding affinity to NK3 receptor | 19117759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19117759 | 10.1016/j.bmcl.2008.12.005 | Brain | 2 |
| 19117759 | 10.1016/j.bmcl.2008.12.005 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine