Structure

InChI Key RVOLLAQWKVFTGE-UHFFFAOYSA-N
Smile CN(C)C(=O)Oc1ccc[n+](C)c1
InChI
InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N2O2+
Molecular Weight 181.22
AlogP 0.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 33.42
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 50 - 19700 59-93

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials
Fibromyalgia 2 D005356 ClinicalTrials
Muscular Atrophy, Spinal 2 D009134 ClinicalTrials
Diabetes Mellitus 1 D003920 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 155-97-5
ChEBI 8665
ChEMBL CHEMBL1115
DrugBank DB00545
DrugCentral 2330
EPA CompTox DTXSID20165786
FDA SRS 19QM69HH21
Human Metabolome Database HMDB0014685
Guide to Pharmacology 8994
KEGG C07410
PharmGKB PA451185
PubChem 4991
SureChEMBL SCHEMBL1317
ZINC ZINC000000002009