Compound Detail
CHEMBL153149
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Basic Information
| ChEMBL ID | CHEMBL153149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHWFDBWKAOPRRT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.2
MW (Da)
2.24
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 CHEMBL4149 | Ki | 7.1 | 6.9 | 79.0 | 2 |
| L1210 CHEMBL386 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 | Ki | = | 79.0 | nM | 7.1 | Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by... | 20466543 |
| Large neutral amino acids transporter small subunit 1 | Ki | = | 200.0 | nM | 6.7 | Binding affinity to LAT1 in rat brain | 20466543 |
| L1210 | Ki | = | 220.0 | nM | 6.66 | Inhibitory activity against murine leukemia cells (L1210) was determined | 3820226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466543 | 10.1016/j.bmcl.2010.04.086 | Large neutral amino acids transporter small subunit 1 | 5 |
| 3820226 | 10.1021/jm00386a017 | L1210 | 2 |
| 3820226 | 10.1021/jm00386a017 | ADMET | 2 |
| 3820226 | 10.1021/jm00386a017 | CFU-C | 1 |
Data from ChEMBL 36 via Core Engine