Showing entry for (+)-(20S)-3-(Benzoylamino)-20-(Dimethylamino)-5Alpha-Pregn-2-En-4Beta-Yl Acetate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0045938
Compound Name(+)-(20S)-3-(Benzoylamino)-20-(Dimethylamino)-5Alpha-Pregn-2-En-4Beta-Yl Acetate
Structure
FormulaC32H46N2O3
InchiKeyLANJPWZPYVPLQZ-SKMXPDMESA-N
SMILESCC(=O)O[C@H]1C(=CC[C@]2([C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)N=C(c1ccccc1)O
InchiInChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27-,29+,31+,32+/m0/s1
IUPAC[(4R,5R,8S,9S,10R,13S,14S,17S)-3-benzamido-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Molecular Weight506.35
Pubchem Id44584024
Chembl IdCHEMBL455316
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 50412082
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 BXGT021657 7-dehydrocholesterol reductase reviewed Enzyme DHCR7 - 600 - -
CHEMBL CHEMBL455316
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
Q9UBM7 BXGT021657 7-dehydrocholesterol reductase reviewed Enzyme DHCR7 IC50 '=' 600 nM
Q15125 BXGT013543 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase reviewed Enzyme EBP IC50 '=' 600 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05377 Pachysandra procumbens Pachysandra procumbens Human Edible Plant
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