Structure

InChI Key GWHQHAUAXRMMOT-MERQFXBCSA-N
Smile CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H28N2O8
Molecular Weight 400.43
AlogP 2.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 32.78
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cholinesterases; ACHE & BCHE inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 499 - - 73

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypotension, Orthostatic 1 D007024 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
18.39
Psychiatric disorders
14.48
General disorders and administration site conditions
13.72
Gastrointestinal disorders
9.43
Injury, poisoning and procedural complications
6.51
Vascular disorders
5.18
Cardiac disorders
4.62
Investigations
4.23
Respiratory, thoracic and mediastinal disorders
4.03
Skin and subcutaneous tissue disorders
3.99
Musculoskeletal and connective tissue disorders
3.7
Infections and infestations
2.39
Metabolism and nutrition disorders
2.34

Cross References

Resources Reference
ChEBI 8874
ChEMBL CHEMBL215645
FDA SRS 9IY2357JPE
Guide to Pharmacology 6602
KEGG C11766
PubChem 6918078
SureChEMBL SCHEMBL916039
ZINC ZINC00004413