Showing entry for (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(Dimethylamino)Ethyl]-N,N,10,13-Tetramethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Amine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028775
Compound Name(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(Dimethylamino)Ethyl]-N,N,10,13-Tetramethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Amine
Structure
FormulaC25H44N2
InchiKeyYTNIUPZRMQLHNV-XSIUSZODSA-N
SMILESCN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](N(C)C)C)C)C1)C)C
InchiInChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1
IUPAC(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Molecular Weight372.35
Pubchem Id442979
Chembl IdCHEMBL344384
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 50421628
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 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 39811 - -
CHEMBL CHEMBL344384
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
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 39810 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00961 Mentha suaveolens Mentha suaveolens Medicinal Plant
BXGF01006 Protea compacta Protea compacta Others
BXGF01057 Alpinia formosana Alpinia formosana Others
BXGF01120 Rubus moluccanus Rubus moluccanus Medicinal Plant
BXGF01172 Bidens parviflora Bidens parviflora Medicinal Plant
BXGF01427 Heliotropium angiospermum Heliotropium angiospermum Medicinal Plant
BXGF01542 Asparagus setaceus Asparagus setaceus Medicinal Plant
BXGF01724 Typhonium flagelliforme Typhonium flagelliforme Medicinal Plant
BXGF01792 Papaver hybrid Papaver hybrid Others
BXGF01831 Piper hostmannianum Piper hostmannianum Others
BXGF01863 Elsholtzia stauntonii Elsholtzia stauntonii Human Edible Plant
BXGF01869 Flindersia australis Flindersia australis Others
BXGF03202 Anisocycla grandidieri Anisocycla grandidieri Others
BXGF04506 Sarcococca saligna Sarcococca saligna Medicinal Plant
BXGF05114 Bambusa tulda Bambusa tulda Medicinal Plant
BXGF05691 Pinus bungeana Pinus bungeana Medicinal Plant
BXGF05880 Holarrhena pubescens Holarrhena pubescens Medicinal Plant
BXGF06067 Haemanthus tigrinus Haemanthus tigrinus Others
BXGF06135 Croton balsamifer Croton balsamifer Others
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