Drug Information

Drug ID:  NPD9633
Drug Name:  Tenofovir
Molecular Formula:  C9H14N5O4P
Canonical SMILES:  C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
Standard InCHI:  InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
Standard InCHIKey:  SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9633

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 0.8156 NPC85689
Intermediate Similarity 0.8156 NPC185991
Intermediate Similarity 0.8156 NPC211025
Intermediate Similarity 0.8099 NPC321814
Intermediate Similarity 0.8088 NPC317821
Intermediate Similarity 0.8071 NPC121222
Intermediate Similarity 0.8042 NPC212551
Intermediate Similarity 0.8042 NPC302778
Intermediate Similarity 0.8042 NPC130586
Intermediate Similarity 0.8042 NPC164952
Intermediate Similarity 0.8015 NPC129756
Intermediate Similarity 0.8 NPC309832
Intermediate Similarity 0.7986 NPC174802
Intermediate Similarity 0.7931 NPC224076
Intermediate Similarity 0.7929 NPC189068
Intermediate Similarity 0.7902 NPC161224
Intermediate Similarity 0.7881 NPC174114
Intermediate Similarity 0.7881 NPC87981
Intermediate Similarity 0.7877 NPC226245
Intermediate Similarity 0.7877 NPC316618
Intermediate Similarity 0.7872 NPC219313
Intermediate Similarity 0.7857 NPC21448
Intermediate Similarity 0.7857 NPC107374
Intermediate Similarity 0.7857 NPC156461
Intermediate Similarity 0.7842 NPC229974
Intermediate Similarity 0.7833 NPC476564
Intermediate Similarity 0.781 NPC33996
Intermediate Similarity 0.7801 NPC164665
Intermediate Similarity 0.7746 NPC269827
Intermediate Similarity 0.7698 NPC209525
Intermediate Similarity 0.7698 NPC161659
Intermediate Similarity 0.7687 NPC104011
Intermediate Similarity 0.7639 NPC136349
Intermediate Similarity 0.7616 NPC323091
Intermediate Similarity 0.7589 NPC314152
Intermediate Similarity 0.7483 NPC472816
Intermediate Similarity 0.7466 NPC150853
Intermediate Similarity 0.7445 NPC57279
Intermediate Similarity 0.74 NPC239737
Intermediate Similarity 0.7381 NPC4837
Intermediate Similarity 0.7381 NPC312187
Intermediate Similarity 0.7365 NPC328479
Intermediate Similarity 0.7313 NPC248007
Intermediate Similarity 0.7299 NPC246193
Intermediate Similarity 0.7296 NPC189261
Intermediate Similarity 0.729 NPC261595
Intermediate Similarity 0.7258 NPC18335
Intermediate Similarity 0.7248 NPC207633
Intermediate Similarity 0.7244 NPC324033
Intermediate Similarity 0.7244 NPC321458
Intermediate Similarity 0.7237 NPC195140
Intermediate Similarity 0.7233 NPC326529
Intermediate Similarity 0.7197 NPC326082
Intermediate Similarity 0.7188 NPC324198
Intermediate Similarity 0.7188 NPC319100
Intermediate Similarity 0.7105 NPC52238
Intermediate Similarity 0.709 NPC139776
Intermediate Similarity 0.707 NPC325906
Intermediate Similarity 0.7059 NPC313754
Intermediate Similarity 0.7059 NPC54320
Intermediate Similarity 0.7059 NPC311197
Intermediate Similarity 0.7059 NPC93365
Intermediate Similarity 0.7006 NPC324484
Remote Similarity 0.6929 NPC287876
Remote Similarity 0.6923 NPC320818
Remote Similarity 0.6917 NPC68938
Remote Similarity 0.6875 NPC290959
Remote Similarity 0.6861 NPC109322
Remote Similarity 0.6857 NPC14330
Remote Similarity 0.6815 NPC327579
Remote Similarity 0.6712 NPC30326
Remote Similarity 0.6707 NPC313897
Remote Similarity 0.6693 NPC476561
Remote Similarity 0.6691 NPC180493
Remote Similarity 0.6689 NPC186619
Remote Similarity 0.6667 NPC274384
Remote Similarity 0.6667 NPC89147
Remote Similarity 0.6667 NPC189314
Remote Similarity 0.6667 NPC296437
Remote Similarity 0.6627 NPC24589
Remote Similarity 0.6622 NPC470266
Remote Similarity 0.6603 NPC472834
Remote Similarity 0.66 NPC318590
Remote Similarity 0.66 NPC251233
Remote Similarity 0.66 NPC211820
Remote Similarity 0.6589 NPC476099
Remote Similarity 0.6556 NPC177169
Remote Similarity 0.6556 NPC317746
Remote Similarity 0.6533 NPC476528
Remote Similarity 0.6533 NPC476433
Remote Similarity 0.6513 NPC64705
Remote Similarity 0.6513 NPC232408
Remote Similarity 0.6512 NPC282458
Remote Similarity 0.6512 NPC78941
Remote Similarity 0.649 NPC217656
Remote Similarity 0.649 NPC476520
Remote Similarity 0.649 NPC474986
Remote Similarity 0.649 NPC476013
Remote Similarity 0.649 NPC476522
Remote Similarity 0.6471 NPC476408
Remote Similarity 0.6456 NPC472833
Remote Similarity 0.6452 NPC326694
Remote Similarity 0.6447 NPC89139
Remote Similarity 0.6447 NPC476521
Remote Similarity 0.6429 NPC5707
Remote Similarity 0.6395 NPC262926
Remote Similarity 0.637 NPC256849
Remote Similarity 0.6369 NPC321052
Remote Similarity 0.6351 NPC61198
Remote Similarity 0.6336 NPC476562
Remote Similarity 0.6335 NPC18308
Remote Similarity 0.6335 NPC472832
Remote Similarity 0.6324 NPC313547
Remote Similarity 0.6323 NPC244700
Remote Similarity 0.6322 NPC313514
Remote Similarity 0.6288 NPC119133
Remote Similarity 0.6222 NPC47936
Remote Similarity 0.6159 NPC14590
Remote Similarity 0.6149 NPC324009
Remote Similarity 0.6131 NPC303899
Remote Similarity 0.6107 NPC319221
Remote Similarity 0.6099 NPC252603
Remote Similarity 0.6082 NPC164845
Remote Similarity 0.6069 NPC473585
Remote Similarity 0.6054 NPC5802
Remote Similarity 0.6043 NPC148385
Remote Similarity 0.6031 NPC293163
Remote Similarity 0.6023 NPC265111
Remote Similarity 0.6022 NPC157821
Remote Similarity 0.6015 NPC59314
Remote Similarity 0.6015 NPC10466
Remote Similarity 0.6014 NPC41958
Remote Similarity 0.6 NPC315642
Remote Similarity 0.6 NPC276373
Remote Similarity 0.6 NPC74306
Remote Similarity 0.5957 NPC278549
Remote Similarity 0.5956 NPC75131
Remote Similarity 0.5858 NPC33382
Remote Similarity 0.5824 NPC168702
Remote Similarity 0.5824 NPC125659
Remote Similarity 0.5816 NPC63433
Remote Similarity 0.5804 NPC158847
Remote Similarity 0.5769 NPC167285
Remote Similarity 0.5769 NPC76544
Remote Similarity 0.5769 NPC226184
Remote Similarity 0.5756 NPC222174
Remote Similarity 0.5687 NPC197068
Remote Similarity 0.5649 NPC51000
Remote Similarity 0.5637 NPC107160
Remote Similarity 0.5634 NPC199790
Remote Similarity 0.5631 NPC21461
Remote Similarity 0.563 NPC326248
Remote Similarity 0.563 NPC187191
Remote Similarity 0.5621 NPC321393

Drug Structure

External Identifiers

TTD   DAP001430; DAP000700
DrugBank   DB00300
ChEMBL   CHEMBL483
IUPHAR/BPS  
PharmaGKB   PA10204
KEGG Drug   D06074
PubChem CID   464205
ChEBI   63625
CAS Number  201341-05-1

Drug Properties

Molecular Weight  287.08
ALogP  -1.3846
MLogP  1.35
XLogP  -2.04
HDA  9
HBD  3
Rotatable Bonds  9
TPSA  146.19
RO5 Violation  0