N-METHYL-1-(PYRIDIN-3-YL)METHANAMINE

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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 MCSAQVGDZLPTBS-UHFFFAOYSA-N
Smiles CNCc1cccnc1
InChI
InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2
Molecular Weight 122.17
AlogP 0.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 24.92
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 31000000 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Apis mellifera
- - - 377000 -
Musca domestica
- 31000000 - 600000 -

Cross References

Resources Reference
ChEMBL CHEMBL357101
PubChem 88393
SureChEMBL SCHEMBL46656
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