GW-274150

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Synonyms
Status
Molecule Category Free-form
UNII 0ZZF1V8G63

Structure

InChI Key MOLOJNHYNHBPCW-ZETCQYMHSA-N
Smiles CC(=N)NCCSCC[C@H](N)C(=O)O
InChI
InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N3O2S
Molecular Weight 219.31
AlogP 0.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 99.2
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Nitric oxide synthase, inducible inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 70-220 - - 26
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 220 - - 26

Target Conservation

Protein: Nitric oxide synthase, inducible
Description: Nitric oxide synthase, inducible
Organism : Homo sapiens
P35228 ENSG00000007171

Cross References

Resources Reference
ChEMBL CHEMBL114551
DrugBank DB12237
FDA SRS 0ZZF1V8G63
Guide to Pharmacology 9849
PubChem 9797017
SureChEMBL SCHEMBL120693
ZINC ZINC000002004483
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