Showing entry for [(1R,4As,10Ar)-1,4A-Dimethyl-7-Propan-2-Yl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methanamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048229
Compound Name[(1R,4As,10Ar)-1,4A-Dimethyl-7-Propan-2-Yl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methanamine
Structure
FormulaC20H31N
InchiKeyJVVXZOOGOGPDRZ-SLFFLAALSA-N
SMILESNC[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C
InchiInChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
IUPAC[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
Molecular Weight285.25
Pubchem Id62034
Chembl IdCHEMBL70488
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 50217007
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
reviewed BXGT013541 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial reviewed Kinase PDK2 - 9500 - -
CHEMBL CHEMBL70488
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
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 23109 nM
Q15118 BXGT013540 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial reviewed Kinase PDK1 IC50 '=' 9500 nM
Q16654 BXGT013650 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial reviewed Kinase PDK4 IC50 '=' 9500 nM
Q15120 BXGT013542 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial reviewed Kinase PDK3 IC50 '=' 9500 nM
Q15119 BXGT013541 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial reviewed Kinase PDK2 IC50 '=' 9500 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 8199 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00042 Safflower Carthamus tinctorius Herbs and Spices
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