Showing entry for Pentostatin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050245
Compound NamePentostatin
Structure
FormulaC11H16N4O4
InchiKeyFPVKHBSQESCIEP-JQCXWYLXSA-N
SMILESOC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O
InchiInChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
IUPAC(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
Molecular Weight268.12
Pubchem Id439693
Chembl IdCHEMBL1580
Targets of Information Source
DrugBank DB00552
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
P00813 BXGT005667 Adenosine deaminase reviewed Enzyme ADA approved; investigational inhibitor
PDB DCF
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
P03958 BXGT006121 Adenosine deaminase reviewed Ada - - - - -
A5KE01 BXGT001346 Adenosine deaminase, putative unreviewed PVX_111245 - - - - -
Q9KNI7 BXGT020959 Adenosine deaminase reviewed add - - - - -
Q8ZPL9 BXGT024921 Adenosine deaminase reviewed add - - - - -
Binding DB 22925
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 BXGT005667 Adenosine deaminase reviewed Enzyme ADA 0.033 - - -
reviewed BXGT005667 Adenosine deaminase reviewed Enzyme ADA 0.1 - - -
reviewed BXGT011188 Adenosine deaminase reviewed ADA 0.0025 - - -
reviewed BXGT005667 Adenosine deaminase reviewed Enzyme ADA 0.0001 - - -
reviewed BXGT011188 Adenosine deaminase reviewed ADA 0.01 - - -
reviewed BXGT005667 Adenosine deaminase reviewed Enzyme ADA 0.0025 - - -
reviewed BXGT011188 Adenosine deaminase reviewed ADA 0.001 - - -
CHEMBL CHEMBL1580
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
P56658 BXGT011188 Adenosine deaminase reviewed - ADA Ki '=' 0 nM
P00813 BXGT005667 Adenosine deaminase reviewed Enzyme ADA Ki '=' 0 nM
P00813 BXGT005667 Adenosine deaminase reviewed Enzyme ADA Ki '=' 0 nM
P56658 BXGT011188 Adenosine deaminase reviewed - ADA Ki '=' 0 nM
P00813 BXGT005667 Adenosine deaminase reviewed Enzyme ADA Ki '=' 0 nM
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 IC50 - - -
P56658 BXGT011188 Adenosine deaminase reviewed - ADA Ki - - -
P56658 BXGT011188 Adenosine deaminase reviewed - ADA Ki '=' 0 nM
O15439 BXGT004169 Multidrug resistance-associated protein 4 reviewed Transporter ABCC4 IC50 - - -
P56658 BXGT011188 Adenosine deaminase reviewed - ADA REA '=' 2800000 -
P00813 BXGT005667 Adenosine deaminase reviewed Enzyme ADA Ki '=' 0 nM
P21398 BXGT008645 Amine oxidase [flavin-containing] A reviewed - MAOA Activity - - -
O15438 BXGT004168 Canalicular multispecific organic anion transporter 2 reviewed Transporter ABCC3 IC50 - - -
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '=' 133000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00363 Wild leek Allium ampeloprasum Vegetables
BXGF02558 Drimia altissima Drimia altissima Medicinal Plant
BXGF02782 Helenium amarum Helenium amarum Medicinal Plant
BXGF02991 Scutellaria viscidula Scutellaria viscidula Medicinal Plant
BXGF03209 Senecio retrorsus Senecio retrorsus Medicinal Plant
BXGF03695 Taxus wallichiana Taxus wallichiana Medicinal Plant
BXGF03769 Artemisia iwayomogi Artemisia iwayomogi 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