Compound Detail
CHEMBL470485
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Basic Information
| ChEMBL ID | CHEMBL470485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJDDRYMIPIEXKX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
3.26
ALogP
4
HBA
1
HBD
65.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.96 | 6.635 | 109.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 109.0 | nM | - |
| Ke | 490.0 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 109.65 | nM | 6.96 | Antagonist activity at human NPSR-Ile107 variant | 33733768 |
| Unchecked | Kd | = | 489.78 | nM | 6.31 | Antagonist activity at human NPSR-Asn107 variant | 33733768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18555684 | 10.1016/j.bmcl.2008.05.098 | Unchecked | 3 |
| 33733768 | 10.1021/acs.jmedchem.0c02223 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine