Compound Detail
CHEMBL572531
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Basic Information
| ChEMBL ID | CHEMBL572531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QITKCQWRUKVTKJ-YIXHJXPBSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
231.1
MW (Da)
1.81
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL5952 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 26.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 18.0 | mL.min-1.g-1 | Rattus norvegicus |
| F | 43.0 | % | Rattus norvegicus |
| T1/2 | 2.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-gal... | 19803524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19803524 | 10.1021/jm9011998 | Rattus norvegicus | 5 |
| 19803524 | 10.1021/jm9011998 | Neuropeptide FF receptor 1 | 3 |
| 19803524 | 10.1021/jm9011998 | No relevant target | 3 |
| 19803524 | 10.1021/jm9011998 | Neuropeptide FF receptor 2 | 2 |
| 19803524 | 10.1021/jm9011998 | Liver microsomes | 2 |
| 19803524 | 10.1021/jm9011998 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine