ZIMELDINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06AB02
UNII: 3J928617DW

Structure
InChI Key OYPPVKRFBIWMSX-SXGWCWSVSA-N
Smile CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1
InChI
InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17BrN2
Molecular Weight 317.23
AlogP 3.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 35
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 4500-6100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135357
ChEMBL CHEMBL37744
DrugBank DB04832
DrugCentral 2863
EPA CompTox DTXSID6048462
FDA SRS 3J928617DW
PubChem 5365247
SureChEMBL SCHEMBL35029
ZINC ZINC000008099545
CONTENTS