N,N-DIMETHYL(PYRIDIN-3-YL)METHANAMINE

/static/temp/default.svg Search structure
Molecule Category Free-form
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 SLZCOYDOFRTTHF-UHFFFAOYSA-N
Smiles CN(C)Cc1cccnc1
InChI
InChI=1S/C8H12N2/c1-10(2)7-8-4-3-5-9-6-8/h3-6H,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12N2
Molecular Weight 136.19
AlogP 0.75
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 16.13
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 5100000 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Apis mellifera
- - - 208000 -
Musca domestica
- 5100000 - 201000 -

Cross References

Resources Reference
ChEMBL CHEMBL331904
PubChem 7330459
SureChEMBL SCHEMBL3460939
CONTENTS