Drug Information

Drug ID:  NPD534
Drug Name:  Forodesine Hydrochloride
Molecular Formula:  C11H14N4O4.ClH
Canonical SMILES:  OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1ncnc2O.Cl
Standard InCHI:  InChI=1S/C11H14N4O4.ClH/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19;/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19);1H/t5-,7+,9-,10+;/m1./s1
Standard InCHIKey:  WEIAMZKHBCLFOG-QPAIBFMUSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD534

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.788 NPC250178
Intermediate Similarity 0.7619 NPC295452
Intermediate Similarity 0.7619 NPC171393
Intermediate Similarity 0.7578 NPC130570
Intermediate Similarity 0.7533 NPC160666
Intermediate Similarity 0.7524 NPC472289
Intermediate Similarity 0.7364 NPC471603
Intermediate Similarity 0.7352 NPC5145
Intermediate Similarity 0.733 NPC282247
Intermediate Similarity 0.7319 NPC39092
Intermediate Similarity 0.7315 NPC103388
Intermediate Similarity 0.7284 NPC74619
Intermediate Similarity 0.7249 NPC107160
Intermediate Similarity 0.7243 NPC192315
Intermediate Similarity 0.7222 NPC322976
Intermediate Similarity 0.7222 NPC324203
Intermediate Similarity 0.7222 NPC63338
Intermediate Similarity 0.7209 NPC476167
Intermediate Similarity 0.7202 NPC470500
Intermediate Similarity 0.7115 NPC48938
Intermediate Similarity 0.7111 NPC8022
Intermediate Similarity 0.7111 NPC470799
Intermediate Similarity 0.7102 NPC63109
Intermediate Similarity 0.7082 NPC21461
Intermediate Similarity 0.707 NPC242209
Intermediate Similarity 0.7067 NPC314394
Intermediate Similarity 0.7037 NPC208751
Intermediate Similarity 0.7035 NPC132680
Intermediate Similarity 0.7035 NPC269919
Intermediate Similarity 0.702 NPC63562
Intermediate Similarity 0.7017 NPC477861
Intermediate Similarity 0.701 NPC256828
Intermediate Similarity 0.7009 NPC476451
Remote Similarity 0.6983 NPC472068
Remote Similarity 0.6981 NPC46580
Remote Similarity 0.6968 NPC475070
Remote Similarity 0.6962 NPC477633
Remote Similarity 0.6948 NPC230805
Remote Similarity 0.6941 NPC19872
Remote Similarity 0.6935 NPC150447
Remote Similarity 0.693 NPC324149
Remote Similarity 0.6927 NPC164664
Remote Similarity 0.6923 NPC314954
Remote Similarity 0.6923 NPC156003
Remote Similarity 0.6914 NPC477634
Remote Similarity 0.6914 NPC471891
Remote Similarity 0.6897 NPC263439
Remote Similarity 0.6894 NPC69843
Remote Similarity 0.6886 NPC477110
Remote Similarity 0.688 NPC110151
Remote Similarity 0.688 NPC6215
Remote Similarity 0.6856 NPC476041
Remote Similarity 0.6856 NPC304926
Remote Similarity 0.6844 NPC185782
Remote Similarity 0.6842 NPC314882
Remote Similarity 0.6835 NPC328924
Remote Similarity 0.6835 NPC469554
Remote Similarity 0.6828 NPC26679
Remote Similarity 0.682 NPC84853
Remote Similarity 0.6814 NPC211187
Remote Similarity 0.681 NPC42979
Remote Similarity 0.681 NPC473317
Remote Similarity 0.6809 NPC323244
Remote Similarity 0.6808 NPC314002
Remote Similarity 0.6808 NPC163421
Remote Similarity 0.6808 NPC188387
Remote Similarity 0.68 NPC478006
Remote Similarity 0.68 NPC314957
Remote Similarity 0.6798 NPC471080
Remote Similarity 0.6798 NPC469592
Remote Similarity 0.6797 NPC213530
Remote Similarity 0.6797 NPC193267
Remote Similarity 0.6794 NPC224764
Remote Similarity 0.6792 NPC220765
Remote Similarity 0.6789 NPC472066
Remote Similarity 0.6789 NPC472031
Remote Similarity 0.6789 NPC472067
Remote Similarity 0.6783 NPC472285
Remote Similarity 0.6777 NPC81175
Remote Similarity 0.6772 NPC315467
Remote Similarity 0.6763 NPC222174
Remote Similarity 0.6763 NPC30540
Remote Similarity 0.6762 NPC96890
Remote Similarity 0.6761 NPC204717
Remote Similarity 0.6756 NPC88008
Remote Similarity 0.6753 NPC469594
Remote Similarity 0.6749 NPC473312
Remote Similarity 0.6745 NPC478009
Remote Similarity 0.6745 NPC478010
Remote Similarity 0.6744 NPC254762
Remote Similarity 0.6744 NPC77101
Remote Similarity 0.6742 NPC18487
Remote Similarity 0.6739 NPC288349
Remote Similarity 0.6738 NPC470502
Remote Similarity 0.6737 NPC476492
Remote Similarity 0.6737 NPC244536
Remote Similarity 0.6732 NPC102423
Remote Similarity 0.6729 NPC15102
Remote Similarity 0.6723 NPC125597
Remote Similarity 0.6712 NPC121772
Remote Similarity 0.6712 NPC326634
Remote Similarity 0.6711 NPC320968
Remote Similarity 0.671 NPC238945
Remote Similarity 0.6709 NPC470501
Remote Similarity 0.6706 NPC41982
Remote Similarity 0.6698 NPC171171
Remote Similarity 0.6696 NPC476138
Remote Similarity 0.6696 NPC245816
Remote Similarity 0.6683 NPC224632
Remote Similarity 0.6682 NPC284678
Remote Similarity 0.6682 NPC184964
Remote Similarity 0.6682 NPC232727
Remote Similarity 0.6681 NPC470503
Remote Similarity 0.6667 NPC470505
Remote Similarity 0.6667 NPC477891
Remote Similarity 0.6667 NPC313514
Remote Similarity 0.6667 NPC310118
Remote Similarity 0.6667 NPC314056
Remote Similarity 0.6667 NPC187558
Remote Similarity 0.6652 NPC77555
Remote Similarity 0.6652 NPC156704
Remote Similarity 0.665 NPC162268
Remote Similarity 0.6638 NPC54981
Remote Similarity 0.6637 NPC176538
Remote Similarity 0.6637 NPC470497
Remote Similarity 0.6635 NPC278874
Remote Similarity 0.6634 NPC131718
Remote Similarity 0.6626 NPC41679
Remote Similarity 0.6625 NPC101543
Remote Similarity 0.6625 NPC89987
Remote Similarity 0.6624 NPC103687
Remote Similarity 0.6624 NPC132631
Remote Similarity 0.6621 NPC99666
Remote Similarity 0.6619 NPC208060
Remote Similarity 0.6615 NPC478011
Remote Similarity 0.6615 NPC478012
Remote Similarity 0.6609 NPC128084
Remote Similarity 0.6608 NPC166492
Remote Similarity 0.6608 NPC473362
Remote Similarity 0.6606 NPC251090
Remote Similarity 0.6599 NPC178858
Remote Similarity 0.6593 NPC472259
Remote Similarity 0.6591 NPC106937
Remote Similarity 0.659 NPC314176
Remote Similarity 0.6589 NPC144114
Remote Similarity 0.6589 NPC161887
Remote Similarity 0.6589 NPC219963
Remote Similarity 0.6589 NPC478013
Remote Similarity 0.6586 NPC477630
Remote Similarity 0.6586 NPC477635
Remote Similarity 0.6585 NPC316756
Remote Similarity 0.6585 NPC230869
Remote Similarity 0.6579 NPC18348
Remote Similarity 0.6578 NPC473761
Remote Similarity 0.6577 NPC267928
Remote Similarity 0.6571 NPC105758
Remote Similarity 0.6571 NPC476688
Remote Similarity 0.6571 NPC476686
Remote Similarity 0.657 NPC182222
Remote Similarity 0.657 NPC158055
Remote Similarity 0.6565 NPC242923
Remote Similarity 0.6562 NPC45459
Remote Similarity 0.6562 NPC249040
Remote Similarity 0.6562 NPC315491
Remote Similarity 0.6555 NPC24370
Remote Similarity 0.6555 NPC319232
Remote Similarity 0.6553 NPC25899
Remote Similarity 0.655 NPC80596
Remote Similarity 0.6549 NPC200836
Remote Similarity 0.6542 NPC326363
Remote Similarity 0.654 NPC313791
Remote Similarity 0.6537 NPC212742
Remote Similarity 0.6537 NPC316981
Remote Similarity 0.6525 NPC471506
Remote Similarity 0.6525 NPC60621
Remote Similarity 0.6522 NPC48192
Remote Similarity 0.6516 NPC226202
Remote Similarity 0.6516 NPC28945
Remote Similarity 0.6509 NPC54744
Remote Similarity 0.6509 NPC477610
Remote Similarity 0.6507 NPC71238
Remote Similarity 0.6507 NPC54988
Remote Similarity 0.6507 NPC49217
Remote Similarity 0.6504 NPC155143
Remote Similarity 0.6502 NPC325976
Remote Similarity 0.6496 NPC258048
Remote Similarity 0.6496 NPC477114
Remote Similarity 0.6495 NPC141377
Remote Similarity 0.6493 NPC252590
Remote Similarity 0.6493 NPC470498
Remote Similarity 0.6491 NPC477113
Remote Similarity 0.6488 NPC207686
Remote Similarity 0.6485 NPC282531
Remote Similarity 0.6481 NPC250835
Remote Similarity 0.6478 NPC469589
Remote Similarity 0.6476 NPC53144
Remote Similarity 0.6473 NPC265576
Remote Similarity 0.6471 NPC167908
Remote Similarity 0.6471 NPC64216
Remote Similarity 0.6468 NPC264285

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  266.10
ALogP  -2.872
MLogP  1.79
XLogP  -0.907
HDA  7
HBD  6
Rotatable Bonds  6
TPSA  134.52
RO5 Violation  1