BURIMAMIDE

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII TN5A4OD2TV
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key HXRBAVXGYZUSED-UHFFFAOYSA-N
Smiles C\N=C(/S)\NCCCCc1c[nH]cn1
InChI
InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N4S
Molecular Weight 212.32
AlogP 1.37
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 91.86
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - 100-7800 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 100-7800 - -

Cross References

Resources Reference
ChEMBL CHEMBL12160
FDA SRS TN5A4OD2TV
PubChem 3032915
SureChEMBL SCHEMBL7860369
CONTENTS