DESERPIDINE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C02AA05
UNII 9016E3VB47
EPA CompTox DTXSID8020383

Structure

InChI Key CVBMAZKKCSYWQR-WCGOZPBSSA-N
Smiles COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChI
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38N2O8
Molecular Weight 578.66
AlogP 4.16
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 108.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Mechanism of Action Action Reference
Synaptic vesicular amine transporter inhibitor INHIBITOR Wikipedia DailyMed

Target Conservation

Protein: Synaptic vesicular amine transporter
Description: Synaptic vesicular amine transporter
Organism : Homo sapiens
Q05940 ENSG00000165646

Related Entries

Cross References

Resources Reference
ChEBI 27478
ChEMBL CHEMBL1200515
DrugBank DB01089
DrugCentral 810
FDA SRS 9016E3VB47
Human Metabolome Database HMDB0015221
Guide to Pharmacology 7064
KEGG C06541
PharmGKB PA164742966
PubChem 8550
SureChEMBL SCHEMBL259343
ZINC ZINC000004097186
CONTENTS