DIETHYLCARBAMAZINE CITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII OS1Z389K8S
EPA CompTox DTXSID4045555
Parent Compound: DIETHYLCARBAMAZINE

Structure

InChI Key PGNKBEARDDELNB-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H29N3O8
Molecular Weight 391.42
AlogP 0.7
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.79
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Nematode GABA-A receptor positive modulator POSITIVE MODULATOR ISBN PubMed Wikipedia Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 81.28-95.54
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Brugia malayi
- - - - 64
Cricetulus griseus
- - - - 81.28-95.54

Cross References

Resources Reference
CAS NUMBER 1642-54-2
ChEBI 4528
ChEMBL CHEMBL937
FDA SRS OS1Z389K8S
PubChem 15432
SureChEMBL SCHEMBL37736
CONTENTS