Compound Detail
CHEMBL1209579
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Basic Information
| ChEMBL ID | CHEMBL1209579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZSZJIOEQKANCY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1229231 |
| Active Moiety | CHEMBL1229231 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
5.82
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity choline transporter 1 CHEMBL3013 | Ki | 6.64 | 6.64 | 230.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity choline transporter 1 | Ki | = | 230.14 | nM | 6.64 | Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synapto... | 20637607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20637607 | 10.1016/j.bmcl.2010.06.090 | High affinity choline transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine