Showing entry for 3-Aminopropanenitrile


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006184
Compound Name3-Aminopropanenitrile
Structure
FormulaC3H6N2
InchiKeyAGSPXMVUFBBBMO-UHFFFAOYSA-N
SMILESNCCC#N
InchiInChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
IUPAC3-aminopropanenitrile
Molecular Weight70.09
Pubchem Id1647
Chembl IdCHEMBL1618272
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1618272
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 23099 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 Inhibition '=' 88 %
B5DF27 BXGT002163 Lysyl oxidase homolog 2 reviewed - Loxl2 IC50 '=' 127 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 Inhibition - - -
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 243 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 Inhibition '<=' 40 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 751 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 66 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 83 nM
Q96JB6 BXGT026118 Lysyl oxidase homolog 4 reviewed - LOXL4 IC50 '>' 100000 nM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 756 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 73 nM
P28300 BXGT009243 Protein-lysine 6-oxidase reviewed - LOX Inhibition '<=' 40 %
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P28300 BXGT009243 Protein-lysine 6-oxidase reviewed - LOX IC50 '=' 550 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 396 nM
P28300 BXGT009243 Protein-lysine 6-oxidase reviewed - LOX IC50 '>' 100000 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 Inhibition '=' 98 %
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 240 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 400 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 Ratio IC50 '=' 6 -
P58022 BXGT011223 Lysyl oxidase homolog 2 reviewed - Loxl2 IC50 '=' 128 nM
Q96JB6 BXGT026118 Lysyl oxidase homolog 4 reviewed - LOXL4 Inhibition '<=' 40 %
P58215 BXGT026106 Lysyl oxidase homolog 3 reviewed - LOXL3 IC50 '=' 170 nM
P58215 BXGT026106 Lysyl oxidase homolog 3 reviewed - LOXL3 Inhibition '<=' 40 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00819 Pulses Pulses
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease