Compound Detail
CHEMBL291962
LEUCINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL291962 |
| Name | LEUCINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | ROHFNLRQFUQHCH-YFKPBYRVSA-N |
2
Targets
5
Activities
4
Assay Types
1
PK Parameters
20
Publications
7
Known Names
7
Indications
Molecular Properties
131.2
MW (Da)
0.44
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Anemia, Diamond-Blackfan Depressive Disorder, Major Diabetes Mellitus, Type 2 Hyperoxaluria, Primary Neoplasms Sarcopenia Depressive Disorder
Activity Summary
IC50 2 meas. best 4.07
EC50 1 meas.
Kd 1 meas. best 7.7
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.7 | 7.7 | 20.0 | 1 |
| Large neutral amino acids transporter small subunit 1 CHEMBL4459 | IC50 | 4.07 | 4.065 | 85000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 100.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 20.0 | nM | 7.7 | Binding affinity to Aquifex aeolicus sodium-coupled leucine transporter | 17687333 |
| Large neutral amino acids transporter small subunit 1 | IC50 | = | 85000.0 | nM | 4.07 | Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed a... | 30048132 |
| Large neutral amino acids transporter small subunit 1 | IC50 | = | 87000.0 | nM | 4.06 | Inhibition of human LAT1 expressed in HEK293-T-Rex cells assessed as inhibition ... | 27624080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23324083 | 10.1021/jm301407k | No relevant target | 8 |
| 9836611 | 10.1021/jm9810102 | No relevant target | 7 |
| 23324083 | 10.1021/jm301407k | RAW264.7 | 5 |
| 23324083 | 10.1021/jm301407k | Lipopolysaccharide (LPS) | 5 |
| 23324083 | 10.1021/jm301407k | ADMET | 4 |
| 27624080 | 10.1016/j.bmcl.2016.09.001 | Large neutral amino acids transporter small subunit 1 | 3 |
| 23324083 | 10.1021/jm301407k | Staphylococcus aureus | 3 |
| 20373811 | 10.1021/jm901846t | No relevant target | 3 |
| 23324083 | 10.1021/jm301407k | Escherichia coli | 3 |
| 30048132 | 10.1021/acs.jmedchem.8b01007 | Large neutral amino acids transporter small subunit 1 | 3 |
| 17687333 | 10.1038/nature06038 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 27106710 | 10.1016/j.bmcl.2016.04.023 | Large neutral amino acids transporter small subunit 1 | 2 |
| 10841786 | 10.1021/jm991156g | Liposome | 2 |
| 11278508 | 10.1074/jbc.m009462200 | Monocarboxylate transporter 10 | 2 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 2 |
| 21955456 | 10.1016/j.bmc.2011.08.058 | Proton-coupled amino acid transporter 1 | 2 |
| 22931300 | 10.1021/tx300075j | Cytochrome P450 3A4 | 2 |
| 22931300 | 10.1021/tx300075j | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine