LEUCINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GMW67QNF9C

Structure
InChI Key ROHFNLRQFUQHCH-YFKPBYRVSA-N
Smile CC(C)C[C@H](N)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO2
Molecular Weight 131.18
AlogP 0.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 2.304
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -12.53-5.48
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC03 and SLC07 families of heteromeric amino acid transporters (HATs) SLC07 Cationic amino acid transporter/glycoprotein-associated family
- 85000-87000 - - 73-78
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC36 family of proton-coupled amino acid transporters
- - - 100000000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Anemia, Diamond-Blackfan 2 D029503 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Hyperoxaluria, Primary 1 D006960 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials
Sarcopenia 1 D055948 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 61-90-5
ChEBI 15603
ChEMBL CHEMBL291962
DrugBank DB01746
DrugCentral 1557
EPA CompTox DTXSID9023203
FDA SRS GMW67QNF9C
Human Metabolome Database HMDB00687
Guide to Pharmacology 3312
KEGG C00123
PDB LEU
PubChem 7045798
SureChEMBL SCHEMBL3889
ZINC ZINC000003645145
CONTENTS