Drug Information

Drug ID:  NPD9569
Drug Name:  Levodopa
Molecular Formula:  C9H11NO4
Canonical SMILES:  OC(=O)[C@H](Cc1ccc(c(c1)O)O)N
Standard InCHI:  InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
Standard InCHIKey:  WTDRDQBEARUVNC-LURJTMIESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9569

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 NPC145888
High Similarity 1.0 NPC16031
High Similarity 1.0 NPC161593
High Similarity 0.9677 NPC88667
High Similarity 0.9431 NPC321561
High Similarity 0.9091 NPC66518
High Similarity 0.9 NPC281686
High Similarity 0.9 NPC188867
High Similarity 0.9 NPC106551
High Similarity 0.8855 NPC6913
High Similarity 0.878 NPC239697
High Similarity 0.8667 NPC146422
High Similarity 0.8571 NPC27581
High Similarity 0.8548 NPC317784
High Similarity 0.8548 NPC142638
High Similarity 0.85 NPC222084
Intermediate Similarity 0.8492 NPC326079
Intermediate Similarity 0.8333 NPC319950
Intermediate Similarity 0.8293 NPC148969
Intermediate Similarity 0.8268 NPC169207
Intermediate Similarity 0.8268 NPC118522
Intermediate Similarity 0.8268 NPC115627
Intermediate Similarity 0.8258 NPC325651
Intermediate Similarity 0.8254 NPC85276
Intermediate Similarity 0.816 NPC4665
Intermediate Similarity 0.814 NPC142577
Intermediate Similarity 0.8 NPC48909
Intermediate Similarity 0.7969 NPC63126
Intermediate Similarity 0.7937 NPC142599
Intermediate Similarity 0.7917 NPC68055
Intermediate Similarity 0.7879 NPC140359
Intermediate Similarity 0.7879 NPC13020
Intermediate Similarity 0.7872 NPC13696
Intermediate Similarity 0.7868 NPC45191
Intermediate Similarity 0.7868 NPC326966
Intermediate Similarity 0.7836 NPC236347
Intermediate Similarity 0.7836 NPC323775
Intermediate Similarity 0.7836 NPC476353
Intermediate Similarity 0.7786 NPC56634
Intermediate Similarity 0.7778 NPC296712
Intermediate Similarity 0.7744 NPC318777
Intermediate Similarity 0.773 NPC259800
Intermediate Similarity 0.773 NPC318028
Intermediate Similarity 0.773 NPC317741
Intermediate Similarity 0.773 NPC241086
Intermediate Similarity 0.773 NPC282087
Intermediate Similarity 0.773 NPC318984
Intermediate Similarity 0.773 NPC328137
Intermediate Similarity 0.7727 NPC472271
Intermediate Similarity 0.7727 NPC177291
Intermediate Similarity 0.7727 NPC322332
Intermediate Similarity 0.7727 NPC194416
Intermediate Similarity 0.7724 NPC1075
Intermediate Similarity 0.7724 NPC294902
Intermediate Similarity 0.7724 NPC1786
Intermediate Similarity 0.7721 NPC478147
Intermediate Similarity 0.7681 NPC33338
Intermediate Similarity 0.7681 NPC244866
Intermediate Similarity 0.7681 NPC300020
Intermediate Similarity 0.7681 NPC302171
Intermediate Similarity 0.7674 NPC299252
Intermediate Similarity 0.7674 NPC61062
Intermediate Similarity 0.7674 NPC277394
Intermediate Similarity 0.7667 NPC245561
Intermediate Similarity 0.7667 NPC125732
Intermediate Similarity 0.766 NPC48202
Intermediate Similarity 0.7634 NPC268572
Intermediate Similarity 0.763 NPC318965
Intermediate Similarity 0.7609 NPC326599
Intermediate Similarity 0.7609 NPC329595
Intermediate Similarity 0.7606 NPC197239
Intermediate Similarity 0.7606 NPC326860
Intermediate Similarity 0.7603 NPC52472
Intermediate Similarity 0.7594 NPC474862
Intermediate Similarity 0.7583 NPC109955
Intermediate Similarity 0.7582 NPC158900
Intermediate Similarity 0.7578 NPC309808
Intermediate Similarity 0.7578 NPC264558
Intermediate Similarity 0.7557 NPC122009
Intermediate Similarity 0.7556 NPC288945
Intermediate Similarity 0.7556 NPC85565
Intermediate Similarity 0.7556 NPC471927
Intermediate Similarity 0.7552 NPC323123
Intermediate Similarity 0.754 NPC290566
Intermediate Similarity 0.754 NPC326187
Intermediate Similarity 0.754 NPC145638
Intermediate Similarity 0.7519 NPC284078
Intermediate Similarity 0.75 NPC324569
Intermediate Similarity 0.75 NPC13495
Intermediate Similarity 0.75 NPC10781
Intermediate Similarity 0.75 NPC156654
Intermediate Similarity 0.75 NPC293628
Intermediate Similarity 0.75 NPC280767
Intermediate Similarity 0.75 NPC122493
Intermediate Similarity 0.7483 NPC219233
Intermediate Similarity 0.7483 NPC170170
Intermediate Similarity 0.7483 NPC211468
Intermediate Similarity 0.7481 NPC283468
Intermediate Similarity 0.7481 NPC150919
Intermediate Similarity 0.7466 NPC125852
Intermediate Similarity 0.7444 NPC265454
Intermediate Similarity 0.7444 NPC34634
Intermediate Similarity 0.744 NPC317592
Intermediate Similarity 0.7424 NPC205502
Intermediate Similarity 0.7422 NPC163674
Intermediate Similarity 0.7422 NPC226250
Intermediate Similarity 0.7419 NPC52087
Intermediate Similarity 0.7419 NPC471511
Intermediate Similarity 0.7415 NPC17760
Intermediate Similarity 0.7398 NPC110764
Intermediate Similarity 0.7394 NPC6570
Intermediate Similarity 0.7391 NPC281020
Intermediate Similarity 0.7388 NPC236520
Intermediate Similarity 0.7388 NPC294361
Intermediate Similarity 0.7388 NPC98305
Intermediate Similarity 0.7385 NPC221870
Intermediate Similarity 0.7383 NPC241392
Intermediate Similarity 0.7368 NPC283760
Intermediate Similarity 0.7368 NPC299406
Intermediate Similarity 0.7364 NPC48525
Intermediate Similarity 0.7364 NPC131530
Intermediate Similarity 0.7348 NPC200988
Intermediate Similarity 0.7348 NPC610
Intermediate Similarity 0.7348 NPC175799
Intermediate Similarity 0.7348 NPC137096
Intermediate Similarity 0.7348 NPC278652
Intermediate Similarity 0.7348 NPC120075
Intermediate Similarity 0.7348 NPC145023
Intermediate Similarity 0.7339 NPC196479
Intermediate Similarity 0.7338 NPC271808
Intermediate Similarity 0.7317 NPC223393
Intermediate Similarity 0.7317 NPC29601
Intermediate Similarity 0.7308 NPC95381
Intermediate Similarity 0.7305 NPC470392
Intermediate Similarity 0.7295 NPC260000
Intermediate Similarity 0.7293 NPC203124
Intermediate Similarity 0.7293 NPC309434
Intermediate Similarity 0.7293 NPC86198
Intermediate Similarity 0.7292 NPC238412
Intermediate Similarity 0.7287 NPC280382
Intermediate Similarity 0.7287 NPC297657
Intermediate Similarity 0.7286 NPC241354
Intermediate Similarity 0.728 NPC12278
Intermediate Similarity 0.728 NPC79672
Intermediate Similarity 0.728 NPC120719
Intermediate Similarity 0.7279 NPC86900
Intermediate Similarity 0.7273 NPC107522
Intermediate Similarity 0.7266 NPC71266
Intermediate Similarity 0.7266 NPC158654
Intermediate Similarity 0.7252 NPC217472
Intermediate Similarity 0.7252 NPC328593
Intermediate Similarity 0.7252 NPC33749
Intermediate Similarity 0.7252 NPC261453
Intermediate Similarity 0.7239 NPC141791
Intermediate Similarity 0.7239 NPC109371
Intermediate Similarity 0.7239 NPC263386
Intermediate Similarity 0.7239 NPC470214
Intermediate Similarity 0.7239 NPC470215
Intermediate Similarity 0.7239 NPC70084
Intermediate Similarity 0.7236 NPC280869
Intermediate Similarity 0.7236 NPC131587
Intermediate Similarity 0.7231 NPC51698
Intermediate Similarity 0.7226 NPC163083
Intermediate Similarity 0.7222 NPC239291
Intermediate Similarity 0.7206 NPC201777
Intermediate Similarity 0.7206 NPC211992
Intermediate Similarity 0.72 NPC13426
Intermediate Similarity 0.7197 NPC474967
Intermediate Similarity 0.7197 NPC213
Intermediate Similarity 0.7197 NPC233669
Intermediate Similarity 0.7197 NPC10286
Intermediate Similarity 0.7192 NPC91953
Intermediate Similarity 0.7188 NPC31274
Intermediate Similarity 0.7185 NPC260837
Intermediate Similarity 0.7183 NPC208757
Intermediate Similarity 0.7183 NPC318799
Intermediate Similarity 0.7183 NPC198388
Intermediate Similarity 0.7172 NPC471283
Intermediate Similarity 0.7165 NPC19149
Intermediate Similarity 0.7165 NPC477814
Intermediate Similarity 0.7164 NPC104514
Intermediate Similarity 0.7164 NPC275519
Intermediate Similarity 0.7163 NPC94810
Intermediate Similarity 0.7163 NPC226855
Intermediate Similarity 0.7154 NPC21890
Intermediate Similarity 0.7153 NPC225710
Intermediate Similarity 0.7153 NPC109580
Intermediate Similarity 0.7153 NPC114298
Intermediate Similarity 0.7143 NPC153990
Intermediate Similarity 0.7143 NPC281277
Intermediate Similarity 0.7133 NPC18074
Intermediate Similarity 0.7133 NPC5419
Intermediate Similarity 0.7133 NPC25581
Intermediate Similarity 0.7133 NPC61
Intermediate Similarity 0.7133 NPC243404
Intermediate Similarity 0.7132 NPC254833
Intermediate Similarity 0.7132 NPC470849
Intermediate Similarity 0.7132 NPC470848
Intermediate Similarity 0.7132 NPC228343
Intermediate Similarity 0.7123 NPC197921

Drug Structure

External Identifiers

TTD   DIB006947; DAP000209
DrugBank   DB01235
ChEMBL   CHEMBL1009
IUPHAR/BPS   3639
PharmaGKB   PA450213
KEGG Drug   D00059
PubChem CID   6047
ChEBI   15765
CAS Number  59-92-7

Drug Properties

Molecular Weight  197.07
ALogP  -2.005
MLogP  1.9
XLogP  -2.111
HDA  3
HBD  4
Rotatable Bonds  7
TPSA  103.78
RO5 Violation  0