Drug Information

Drug ID:  NPD3203
Drug Name:  Kanamycin
Molecular Formula:  C18H36N4O11
Canonical SMILES:  OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2O)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O
Standard InCHI:  InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
Standard InCHIKey:  SBUJHOSQTJFQJX-NOAMYHISSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3203

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
High Similarity 1.0 NPC314007
High Similarity 1.0 NPC477060
High Similarity 1.0 NPC123746
High Similarity 1.0 NPC314408
High Similarity 1.0 NPC43850
High Similarity 0.9759 NPC176381
High Similarity 0.9759 NPC195969
High Similarity 0.9518 NPC214376
High Similarity 0.9419 NPC315334
High Similarity 0.9398 NPC313552
High Similarity 0.9383 NPC263058
High Similarity 0.9259 NPC315969
High Similarity 0.9205 NPC330590
High Similarity 0.8804 NPC315036
High Similarity 0.878 NPC318258
High Similarity 0.8602 NPC56298
High Similarity 0.8602 NPC471628
Intermediate Similarity 0.7778 NPC221148
Intermediate Similarity 0.767 NPC57436
Intermediate Similarity 0.767 NPC121479
Intermediate Similarity 0.7609 NPC470282
Intermediate Similarity 0.7586 NPC316807
Intermediate Similarity 0.7531 NPC291650
Intermediate Similarity 0.7531 NPC322801
Intermediate Similarity 0.7531 NPC129100
Intermediate Similarity 0.75 NPC70574
Intermediate Similarity 0.75 NPC306838
Intermediate Similarity 0.7453 NPC241597
Intermediate Similarity 0.7386 NPC98750
Intermediate Similarity 0.7333 NPC36927
Intermediate Similarity 0.7333 NPC271772
Intermediate Similarity 0.7113 NPC328646
Intermediate Similarity 0.7111 NPC83248
Intermediate Similarity 0.7111 NPC100204
Intermediate Similarity 0.7065 NPC165119
Intermediate Similarity 0.7033 NPC471420
Remote Similarity 0.693 NPC94319
Remote Similarity 0.6915 NPC253975
Remote Similarity 0.6915 NPC192025
Remote Similarity 0.6915 NPC125253
Remote Similarity 0.6842 NPC83839
Remote Similarity 0.6813 NPC150557
Remote Similarity 0.6804 NPC470284
Remote Similarity 0.6667 NPC327753
Remote Similarity 0.6667 NPC327486
Remote Similarity 0.6667 NPC223174
Remote Similarity 0.6574 NPC317534
Remote Similarity 0.6471 NPC470283
Remote Similarity 0.6436 NPC208537
Remote Similarity 0.6436 NPC270005
Remote Similarity 0.6404 NPC313813
Remote Similarity 0.6356 NPC20035
Remote Similarity 0.6344 NPC314772
Remote Similarity 0.6344 NPC314968
Remote Similarity 0.6265 NPC317023
Remote Similarity 0.6262 NPC188453
Remote Similarity 0.6262 NPC42320
Remote Similarity 0.6224 NPC476523
Remote Similarity 0.6145 NPC472025
Remote Similarity 0.6129 NPC244539
Remote Similarity 0.6126 NPC59589
Remote Similarity 0.6071 NPC290179
Remote Similarity 0.6071 NPC34877
Remote Similarity 0.6064 NPC313762
Remote Similarity 0.6049 NPC242073
Remote Similarity 0.6049 NPC269166
Remote Similarity 0.6049 NPC165198
Remote Similarity 0.6049 NPC107914
Remote Similarity 0.6049 NPC246558
Remote Similarity 0.6049 NPC89145
Remote Similarity 0.6049 NPC67660
Remote Similarity 0.6049 NPC145112
Remote Similarity 0.6049 NPC58629
Remote Similarity 0.6049 NPC157514
Remote Similarity 0.6 NPC314413
Remote Similarity 0.6 NPC239705
Remote Similarity 0.6 NPC314306
Remote Similarity 0.6 NPC314398
Remote Similarity 0.5984 NPC68327
Remote Similarity 0.5976 NPC303727
Remote Similarity 0.5946 NPC92874
Remote Similarity 0.5946 NPC62845
Remote Similarity 0.5946 NPC166242
Remote Similarity 0.5946 NPC189854
Remote Similarity 0.5946 NPC322449
Remote Similarity 0.593 NPC477755
Remote Similarity 0.593 NPC477753
Remote Similarity 0.593 NPC477757
Remote Similarity 0.593 NPC477762
Remote Similarity 0.593 NPC477750
Remote Similarity 0.593 NPC477763
Remote Similarity 0.5909 NPC6848
Remote Similarity 0.5893 NPC325900
Remote Similarity 0.5893 NPC10897
Remote Similarity 0.587 NPC476694
Remote Similarity 0.587 NPC476695
Remote Similarity 0.587 NPC476696
Remote Similarity 0.5862 NPC17455
Remote Similarity 0.5843 NPC315980
Remote Similarity 0.582 NPC139857
Remote Similarity 0.581 NPC61894
Remote Similarity 0.581 NPC475603
Remote Similarity 0.5806 NPC474468
Remote Similarity 0.5802 NPC326533
Remote Similarity 0.5752 NPC475918
Remote Similarity 0.5726 NPC75839
Remote Similarity 0.5714 NPC471418
Remote Similarity 0.5682 NPC69669
Remote Similarity 0.5682 NPC218150
Remote Similarity 0.5682 NPC22774
Remote Similarity 0.5682 NPC2432
Remote Similarity 0.5682 NPC306462
Remote Similarity 0.5682 NPC150680
Remote Similarity 0.5667 NPC471760
Remote Similarity 0.5667 NPC12040
Remote Similarity 0.5667 NPC471761
Remote Similarity 0.5667 NPC190418
Remote Similarity 0.5667 NPC76881
Remote Similarity 0.5663 NPC323361
Remote Similarity 0.5663 NPC130683
Remote Similarity 0.5652 NPC67099
Remote Similarity 0.5652 NPC268922
Remote Similarity 0.5652 NPC250619
Remote Similarity 0.5647 NPC148424
Remote Similarity 0.5647 NPC8979
Remote Similarity 0.5632 NPC143326
Remote Similarity 0.561 NPC23134
Remote Similarity 0.561 NPC233726
Remote Similarity 0.561 NPC124963
Remote Similarity 0.5604 NPC477752
Remote Similarity 0.5604 NPC477756
Remote Similarity 0.5604 NPC477764
Remote Similarity 0.5604 NPC477751

Drug Structure

External Identifiers

TTD   DNC000201
DrugBank   DB01172
ChEMBL   CHEMBL1384
IUPHAR/BPS  
PharmaGKB   PA450137
KEGG Drug  
PubChem CID  
ChEBI   17630
CAS Number  59-01-8

Drug Properties

Molecular Weight  484.24
ALogP  -7.4937
MLogP  1.79
XLogP  -5.486
HDA  15
HBD  11
Rotatable Bonds  17
TPSA  282.61
RO5 Violation  2