Drug Information

Drug ID:  NPD6679
Drug Name:  Canfosfamide
Molecular Formula:  C26H40Cl4N5O10PS
Canonical SMILES:  ClCCN(P(=O)(N(CCCl)CCCl)OCCS(=O)(=O)C[C@@H](C(=N[C@H](c1ccccc1)C(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O)CCCl
Standard InCHI:  InChI=1S/C26H40Cl4N5O10PS/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)/t20-,21-,23+/m0/s1
Standard InCHIKey:  OJLHWPALWODJPQ-QNWVGRARSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6679

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
Remote Similarity 0.6986 NPC474584
Remote Similarity 0.6871 NPC468984
Remote Similarity 0.6805 NPC286551
Remote Similarity 0.6735 NPC319579
Remote Similarity 0.6689 NPC329011
Remote Similarity 0.6687 NPC322878
Remote Similarity 0.6645 NPC254088
Remote Similarity 0.6623 NPC197470
Remote Similarity 0.6597 NPC164859
Remote Similarity 0.6575 NPC327481
Remote Similarity 0.6568 NPC105717
Remote Similarity 0.6536 NPC169328
Remote Similarity 0.6529 NPC13470
Remote Similarity 0.6519 NPC47667
Remote Similarity 0.6516 NPC478016
Remote Similarity 0.6516 NPC478014
Remote Similarity 0.6516 NPC478015
Remote Similarity 0.6497 NPC35996
Remote Similarity 0.6494 NPC310467
Remote Similarity 0.6494 NPC314992
Remote Similarity 0.6478 NPC477937
Remote Similarity 0.6364 NPC2265
Remote Similarity 0.6364 NPC314835
Remote Similarity 0.6358 NPC300443
Remote Similarity 0.6358 NPC300315
Remote Similarity 0.631 NPC469426
Remote Similarity 0.631 NPC469427
Remote Similarity 0.6287 NPC287358
Remote Similarity 0.6287 NPC132636
Remote Similarity 0.6282 NPC237420
Remote Similarity 0.6276 NPC12730
Remote Similarity 0.6266 NPC326079
Remote Similarity 0.6259 NPC471317
Remote Similarity 0.6258 NPC325651
Remote Similarity 0.625 NPC122493
Remote Similarity 0.625 NPC293628
Remote Similarity 0.625 NPC10781
Remote Similarity 0.6211 NPC4974
Remote Similarity 0.6209 NPC209463
Remote Similarity 0.6203 NPC190663
Remote Similarity 0.6196 NPC111428
Remote Similarity 0.6182 NPC326966
Remote Similarity 0.6176 NPC91953
Remote Similarity 0.6174 NPC67043
Remote Similarity 0.6149 NPC2501
Remote Similarity 0.614 NPC52748
Remote Similarity 0.6138 NPC324569
Remote Similarity 0.6136 NPC473341
Remote Similarity 0.6129 NPC317362
Remote Similarity 0.6129 NPC317725
Remote Similarity 0.6129 NPC318930
Remote Similarity 0.6129 NPC326407
Remote Similarity 0.6129 NPC471318
Remote Similarity 0.6125 NPC27581
Remote Similarity 0.6125 NPC160493
Remote Similarity 0.6118 NPC197921
Remote Similarity 0.6111 NPC101719
Remote Similarity 0.6101 NPC477061
Remote Similarity 0.6101 NPC45777
Remote Similarity 0.6085 NPC153554
Remote Similarity 0.6084 NPC246913
Remote Similarity 0.6082 NPC469360
Remote Similarity 0.6082 NPC77905
Remote Similarity 0.6069 NPC314114
Remote Similarity 0.6067 NPC476198
Remote Similarity 0.6065 NPC276949
Remote Similarity 0.6065 NPC35850
Remote Similarity 0.6062 NPC71684
Remote Similarity 0.6059 NPC239762
Remote Similarity 0.6059 NPC163392
Remote Similarity 0.6057 NPC283783
Remote Similarity 0.6049 NPC222466
Remote Similarity 0.6045 NPC122590
Remote Similarity 0.6037 NPC210950
Remote Similarity 0.6037 NPC199738
Remote Similarity 0.6036 NPC127741
Remote Similarity 0.6026 NPC33742
Remote Similarity 0.6022 NPC471527
Remote Similarity 0.6013 NPC470545
Remote Similarity 0.6012 NPC315266
Remote Similarity 0.6012 NPC471680
Remote Similarity 0.6011 NPC189116
Remote Similarity 0.6 NPC471821
Remote Similarity 0.6 NPC471820
Remote Similarity 0.6 NPC89489
Remote Similarity 0.6 NPC315388
Remote Similarity 0.6 NPC477557
Remote Similarity 0.6 NPC80150
Remote Similarity 0.5988 NPC6975
Remote Similarity 0.5988 NPC139326
Remote Similarity 0.5975 NPC470546
Remote Similarity 0.5967 NPC24617
Remote Similarity 0.5965 NPC476259
Remote Similarity 0.5959 NPC25565
Remote Similarity 0.5954 NPC476978
Remote Similarity 0.595 NPC477527
Remote Similarity 0.5949 NPC470544
Remote Similarity 0.5943 NPC311658
Remote Similarity 0.5943 NPC329761
Remote Similarity 0.5943 NPC225648
Remote Similarity 0.5941 NPC6570
Remote Similarity 0.5941 NPC68865
Remote Similarity 0.5934 NPC114806
Remote Similarity 0.5933 NPC202613
Remote Similarity 0.593 NPC263493
Remote Similarity 0.593 NPC269398
Remote Similarity 0.5924 NPC217804
Remote Similarity 0.5924 NPC210377
Remote Similarity 0.5924 NPC5719
Remote Similarity 0.5924 NPC22883
Remote Similarity 0.592 NPC5620
Remote Similarity 0.5918 NPC473501
Remote Similarity 0.5918 NPC475439
Remote Similarity 0.5917 NPC141050
Remote Similarity 0.5912 NPC326349
Remote Similarity 0.5912 NPC323336
Remote Similarity 0.5904 NPC311753
Remote Similarity 0.5904 NPC296712
Remote Similarity 0.5901 NPC200964
Remote Similarity 0.5899 NPC162104
Remote Similarity 0.5897 NPC273814
Remote Similarity 0.5896 NPC197682
Remote Similarity 0.5896 NPC316202
Remote Similarity 0.5896 NPC176226
Remote Similarity 0.5896 NPC161069
Remote Similarity 0.5894 NPC194390
Remote Similarity 0.5894 NPC113326
Remote Similarity 0.5894 NPC88267
Remote Similarity 0.5894 NPC224610
Remote Similarity 0.5892 NPC15068
Remote Similarity 0.5889 NPC469903
Remote Similarity 0.5889 NPC473580
Remote Similarity 0.5888 NPC477526
Remote Similarity 0.5886 NPC188010
Remote Similarity 0.5885 NPC477637
Remote Similarity 0.5882 NPC46009
Remote Similarity 0.5879 NPC62104
Remote Similarity 0.5879 NPC1390
Remote Similarity 0.5872 NPC48202
Remote Similarity 0.5872 NPC307357
Remote Similarity 0.5872 NPC46098
Remote Similarity 0.5872 NPC268841
Remote Similarity 0.5868 NPC478147
Remote Similarity 0.5867 NPC72401
Remote Similarity 0.5867 NPC325339
Remote Similarity 0.5864 NPC202521
Remote Similarity 0.586 NPC63040
Remote Similarity 0.5858 NPC244866
Remote Similarity 0.5854 NPC22746
Remote Similarity 0.5854 NPC476241
Remote Similarity 0.5854 NPC476260
Remote Similarity 0.5852 NPC145113
Remote Similarity 0.5852 NPC135121
Remote Similarity 0.5848 NPC471265
Remote Similarity 0.5848 NPC43755
Remote Similarity 0.5848 NPC471264
Remote Similarity 0.5847 NPC469243
Remote Similarity 0.5843 NPC475168
Remote Similarity 0.5843 NPC319766
Remote Similarity 0.5843 NPC7817
Remote Similarity 0.5839 NPC319950
Remote Similarity 0.5838 NPC63931
Remote Similarity 0.5838 NPC168113
Remote Similarity 0.5833 NPC255447
Remote Similarity 0.5833 NPC130309
Remote Similarity 0.5833 NPC470902
Remote Similarity 0.5833 NPC258627
Remote Similarity 0.5829 NPC328763
Remote Similarity 0.5829 NPC314287
Remote Similarity 0.5829 NPC473000
Remote Similarity 0.5829 NPC209509
Remote Similarity 0.5829 NPC201244
Remote Similarity 0.5829 NPC477217
Remote Similarity 0.5824 NPC297145
Remote Similarity 0.5824 NPC248283
Remote Similarity 0.5824 NPC197743
Remote Similarity 0.582 NPC306804
Remote Similarity 0.5818 NPC474847
Remote Similarity 0.5818 NPC476125
Remote Similarity 0.5818 NPC476179
Remote Similarity 0.5816 NPC4910
Remote Similarity 0.5814 NPC178662
Remote Similarity 0.5814 NPC98424
Remote Similarity 0.5814 NPC92784
Remote Similarity 0.5814 NPC470884
Remote Similarity 0.5814 NPC476133
Remote Similarity 0.5813 NPC476440
Remote Similarity 0.5808 NPC473322
Remote Similarity 0.5805 NPC57976
Remote Similarity 0.5802 NPC476183
Remote Similarity 0.5802 NPC476990
Remote Similarity 0.58 NPC59827
Remote Similarity 0.58 NPC184933
Remote Similarity 0.5799 NPC246079
Remote Similarity 0.5787 NPC129666
Remote Similarity 0.5786 NPC101139
Remote Similarity 0.5784 NPC471053
Remote Similarity 0.5784 NPC471051
Remote Similarity 0.5784 NPC471052
Remote Similarity 0.5772 NPC322598

Drug Structure

External Identifiers

TTD  
DrugBank   DB04972
ChEMBL   CHEMBL2111086
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   135883
CAS Number  158382-37-7

Drug Properties

Molecular Weight  785.10
ALogP  -0.6237
MLogP  2.01
XLogP  0.465
HDA  15
HBD  5
Rotatable Bonds  34
TPSA  250.91
RO5 Violation  2