Compound Detail
CHEMBL26512
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Basic Information
| ChEMBL ID | CHEMBL26512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDORQEIHOKEJNX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.02
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.1
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL2337 | Kd | 9.1 | 9.05 | 0.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.44 | 7.44 | 36.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 | Kd | = | 0.8 | nM | 9.1 | Binding affinity towards rat hippocampus GlyT1 transporter expressed in HEK 293 ... | 12657266 |
| Sodium- and chloride-dependent glycine transporter 1 | Kd | = | 1.0 | nM | 9.0 | Binding affinity towards human GlyT1 transporter expressed in HEK 293 cells | 12657266 |
| Unchecked | IC50 | = | 36.4 | nM | 7.44 | Inhibition of [3-H]-glycine uptake into rat synaptosomes | 12657266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657266 | 10.1016/s0960-894x(03)00126-4 | Sodium- and chloride-dependent glycine transporter 1 | 2 |
| 12657266 | 10.1016/s0960-894x(03)00126-4 | Unchecked | 1 |
| - | 10.5281/zenodo.7361399 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine