DIETHYLTOLUAMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P03BX01
UNII: FB0C1XZV4Y

Structure
InChI Key MMOXZBCLCQITDF-UHFFFAOYSA-N
Smile CCN(CC)C(=O)c1cccc(C)c1
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO
Molecular Weight 191.27
AlogP 2.48
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

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
- - - - 107

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 7071
ChEMBL CHEMBL1453317
DrugBank DB11282
DrugCentral 4418
EPA CompTox DTXSID2021995
FDA SRS FB0C1XZV4Y
KEGG C10935
PDB DE3
PubChem 4284
SureChEMBL SCHEMBL29976
ZINC ZINC000000001291
CONTENTS