Compound Detail
CHEMBL3809645
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Basic Information
| ChEMBL ID | CHEMBL3809645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FULCCCZBEUTMED-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.94
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 CHEMBL4459 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake ... | 27106710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27106710 | 10.1016/j.bmcl.2016.04.023 | Large neutral amino acids transporter small subunit 1 | 3 |
Data from ChEMBL 36 via Core Engine