Structure

InChI Key NTNWOCRCBQPEKQ-UHFFFAOYSA-N
Smile CNC(=N)NCCCC(N)C(=O)O
InChI
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N4O2
Molecular Weight 188.23
AlogP -1.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 111.23
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Nitric oxide synthase inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 2-27000 - 400-400 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anemia 2 D000740 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Sarcopenia 1 D055948 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Hypoxia 1 D000860 ClinicalTrials
Cerebral Arterial Diseases 0 D002539 ClinicalTrials

Cross References

Resources Reference
ChEBI 124959
ChEMBL CHEMBL256147
DrugBank DB11815
EPA CompTox DTXSID3040560
FDA SRS 27JT06E6GR
Human Metabolome Database HMDB0029416
KEGG C03884
PDB NMM
SureChEMBL SCHEMBL315843
ZINC ZINC000001529776