Compound Detail
CHEMBL1887357
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Basic Information
| ChEMBL ID | CHEMBL1887357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIXHLKADIMJEOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.6
MW (Da)
3.95
ALogP
6
HBA
1
HBD
63.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity choline transporter 1 CHEMBL4507 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity choline transporter 1 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells... | 25801932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25801932 | 10.1016/j.bmcl.2015.02.058 | High affinity choline transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine