Compound Detail
CHEMBL3303803
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Basic Information
| ChEMBL ID | CHEMBL3303803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHXWDKDTIPWBEB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.45
ALogP
7
HBA
1
HBD
86.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity choline transporter 1 CHEMBL4507 | IC50 | 5.75 | 5.48 | 1770.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity choline transporter 1 | IC50 | = | 1770.0 | nM | 5.75 | Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells... | 25801932 |
| High affinity choline transporter 1 | IC50 | = | 6120.0 | nM | 5.21 | 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 | 4 |
Data from ChEMBL 36 via Core Engine