L-CITRULLINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 29VT07BGDA

Structure
InChI Key RHGKLRLOHDJJDR-BYPYZUCNSA-N
Smile NC(=O)NCCC[C@H](N)C(=O)O
InChI
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N3O3
Molecular Weight 175.19
AlogP -1.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 118.44
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 120

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postpoliomyelitis Syndrome 3 D016262 ClinicalTrials
Acute Lung Injury 3 D055371 ClinicalTrials
Intermittent Claudication 2 D007383 ClinicalTrials
Peripheral Arterial Disease 2 D058729 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Heart Septal Defects, Atrial 1 D006344 ClinicalTrials
Heart Septal Defects, Ventricular 1 D006345 ClinicalTrials
Anemia, Sickle Cell 1 D000755 ClinicalTrials
MELAS Syndrome 1 D017241 ClinicalTrials
Bronchopulmonary Dysplasia 1 D001997 ClinicalTrials
Endocardial Cushion Defects 1 D004694 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials

Cross References

Resources Reference
ChEBI 16349
ChEMBL CHEMBL444814
DrugBank DB00155
DrugCentral 3103
EPA CompTox DTXSID80883373
FDA SRS 29VT07BGDA
Human Metabolome Database HMDB0000904
Guide to Pharmacology 722
KEGG C00327
PDB CIR
PharmGKB PA164747225
SureChEMBL SCHEMBL20588
ZINC ZINC000001532614
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