Drug Information

Drug ID:  NPD259
Drug Name:  Melevodopa
Molecular Formula:  C10H13NO4
Canonical SMILES:  COC(=O)[C@H](Cc1ccc(c(c1)O)O)N
Standard InCHI:  InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m0/s1
Standard InCHIKey:  XBBDACCLCFWBSI-ZETCQYMHSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD259

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 NPC88667
High Similarity 0.9677 NPC145888
High Similarity 0.9677 NPC161593
High Similarity 0.9677 NPC16031
High Similarity 0.9286 NPC321561
High Similarity 0.9248 NPC66518
High Similarity 0.871 NPC188867
High Similarity 0.871 NPC281686
High Similarity 0.871 NPC106551
High Similarity 0.8593 NPC6913
High Similarity 0.8504 NPC239697
Intermediate Similarity 0.8468 NPC148969
Intermediate Similarity 0.8387 NPC146422
Intermediate Similarity 0.8308 NPC27581
Intermediate Similarity 0.8281 NPC142638
Intermediate Similarity 0.8281 NPC317784
Intermediate Similarity 0.8231 NPC326079
Intermediate Similarity 0.8226 NPC222084
Intermediate Similarity 0.8217 NPC319950
Intermediate Similarity 0.8168 NPC142577
Intermediate Similarity 0.8154 NPC115627
Intermediate Similarity 0.8154 NPC169207
Intermediate Similarity 0.8154 NPC118522
Intermediate Similarity 0.814 NPC85276
Intermediate Similarity 0.8074 NPC296712
Intermediate Similarity 0.8045 NPC140359
Intermediate Similarity 0.8045 NPC13020
Intermediate Similarity 0.8029 NPC45191
Intermediate Similarity 0.8015 NPC325651
Intermediate Similarity 0.8 NPC476353
Intermediate Similarity 0.7907 NPC4665
Intermediate Similarity 0.7895 NPC177291
Intermediate Similarity 0.7895 NPC194416
Intermediate Similarity 0.7868 NPC236347
Intermediate Similarity 0.7868 NPC323775
Intermediate Similarity 0.7863 NPC63126
Intermediate Similarity 0.7843 NPC158900
Intermediate Similarity 0.7829 NPC142599
Intermediate Similarity 0.777 NPC326966
Intermediate Similarity 0.777 NPC326599
Intermediate Similarity 0.777 NPC329595
Intermediate Similarity 0.777 NPC48909
Intermediate Similarity 0.7761 NPC472271
Intermediate Similarity 0.7761 NPC322332
Intermediate Similarity 0.7752 NPC264558
Intermediate Similarity 0.7687 NPC56634
Intermediate Similarity 0.7676 NPC6570
Intermediate Similarity 0.7664 NPC280767
Intermediate Similarity 0.7661 NPC68055
Intermediate Similarity 0.7655 NPC13696
Intermediate Similarity 0.7639 NPC318984
Intermediate Similarity 0.7639 NPC282087
Intermediate Similarity 0.7639 NPC259800
Intermediate Similarity 0.7639 NPC317741
Intermediate Similarity 0.7639 NPC241086
Intermediate Similarity 0.7639 NPC328137
Intermediate Similarity 0.7639 NPC318028
Intermediate Similarity 0.763 NPC474862
Intermediate Similarity 0.7626 NPC478147
Intermediate Similarity 0.7597 NPC226250
Intermediate Similarity 0.7594 NPC205502
Intermediate Similarity 0.7591 NPC288945
Intermediate Similarity 0.7591 NPC85565
Intermediate Similarity 0.7589 NPC244866
Intermediate Similarity 0.7589 NPC33338
Intermediate Similarity 0.7589 NPC302171
Intermediate Similarity 0.7589 NPC300020
Intermediate Similarity 0.7556 NPC98305
Intermediate Similarity 0.7554 NPC281020
Intermediate Similarity 0.7538 NPC48525
Intermediate Similarity 0.7537 NPC299406
Intermediate Similarity 0.7519 NPC200988
Intermediate Similarity 0.7519 NPC120075
Intermediate Similarity 0.7519 NPC175799
Intermediate Similarity 0.7519 NPC610
Intermediate Similarity 0.7519 NPC145023
Intermediate Similarity 0.7518 NPC318777
Intermediate Similarity 0.7517 NPC326860
Intermediate Similarity 0.7517 NPC197239
Intermediate Similarity 0.7481 NPC95381
Intermediate Similarity 0.748 NPC294902
Intermediate Similarity 0.748 NPC1786
Intermediate Similarity 0.748 NPC1075
Intermediate Similarity 0.7466 NPC91953
Intermediate Similarity 0.7465 NPC470392
Intermediate Similarity 0.7463 NPC309434
Intermediate Similarity 0.7463 NPC203124
Intermediate Similarity 0.7463 NPC86198
Intermediate Similarity 0.7448 NPC48202
Intermediate Similarity 0.7444 NPC61062
Intermediate Similarity 0.7444 NPC277394
Intermediate Similarity 0.7444 NPC299252
Intermediate Similarity 0.7442 NPC145638
Intermediate Similarity 0.7442 NPC290566
Intermediate Similarity 0.7442 NPC326187
Intermediate Similarity 0.7429 NPC158654
Intermediate Similarity 0.7424 NPC33749
Intermediate Similarity 0.7424 NPC328593
Intermediate Similarity 0.7424 NPC261453
Intermediate Similarity 0.7419 NPC125732
Intermediate Similarity 0.7419 NPC245561
Intermediate Similarity 0.741 NPC318965
Intermediate Similarity 0.7407 NPC109371
Intermediate Similarity 0.7407 NPC470215
Intermediate Similarity 0.7407 NPC470214
Intermediate Similarity 0.7407 NPC70084
Intermediate Similarity 0.7407 NPC268572
Intermediate Similarity 0.7397 NPC197921
Intermediate Similarity 0.7391 NPC163083
Intermediate Similarity 0.7388 NPC137096
Intermediate Similarity 0.7388 NPC150919
Intermediate Similarity 0.7372 NPC211992
Intermediate Similarity 0.7372 NPC201777
Intermediate Similarity 0.7368 NPC474967
Intermediate Similarity 0.7368 NPC233669
Intermediate Similarity 0.7364 NPC31274
Intermediate Similarity 0.736 NPC52472
Intermediate Similarity 0.7353 NPC34634
Intermediate Similarity 0.7353 NPC265454
Intermediate Similarity 0.7348 NPC309808
Intermediate Similarity 0.7347 NPC323123
Intermediate Similarity 0.7347 NPC469360
Intermediate Similarity 0.7339 NPC109955
Intermediate Similarity 0.7338 NPC471927
Intermediate Similarity 0.7333 NPC17760
Intermediate Similarity 0.7333 NPC122009
Intermediate Similarity 0.7328 NPC21890
Intermediate Similarity 0.7324 NPC241354
Intermediate Similarity 0.7324 NPC226855
Intermediate Similarity 0.7323 NPC52087
Intermediate Similarity 0.7319 NPC114298
Intermediate Similarity 0.7313 NPC281277
Intermediate Similarity 0.7305 NPC153990
Intermediate Similarity 0.7302 NPC110764
Intermediate Similarity 0.7299 NPC470849
Intermediate Similarity 0.7299 NPC470848
Intermediate Similarity 0.7299 NPC284078
Intermediate Similarity 0.7297 NPC204546
Intermediate Similarity 0.7293 NPC217472
Intermediate Similarity 0.7286 NPC257589
Intermediate Similarity 0.7286 NPC53305
Intermediate Similarity 0.7279 NPC141791
Intermediate Similarity 0.7279 NPC170170
Intermediate Similarity 0.7279 NPC219233
Intermediate Similarity 0.7279 NPC283760
Intermediate Similarity 0.7279 NPC241634
Intermediate Similarity 0.7279 NPC263386
Intermediate Similarity 0.7279 NPC211468
Intermediate Similarity 0.7279 NPC156654
Intermediate Similarity 0.7273 NPC131530
Intermediate Similarity 0.7267 NPC294249
Intermediate Similarity 0.7267 NPC125852
Intermediate Similarity 0.7266 NPC242372
Intermediate Similarity 0.7266 NPC13495
Intermediate Similarity 0.7266 NPC4181
Intermediate Similarity 0.7266 NPC164778
Intermediate Similarity 0.7266 NPC257976
Intermediate Similarity 0.7259 NPC65791
Intermediate Similarity 0.7259 NPC283468
Intermediate Similarity 0.7258 NPC122493
Intermediate Similarity 0.7258 NPC10781
Intermediate Similarity 0.7258 NPC324569
Intermediate Similarity 0.7258 NPC293628
Intermediate Similarity 0.7248 NPC138438
Intermediate Similarity 0.7248 NPC908
Intermediate Similarity 0.7244 NPC196479
Intermediate Similarity 0.7241 NPC475468
Intermediate Similarity 0.7241 NPC129889
Intermediate Similarity 0.7241 NPC307006
Intermediate Similarity 0.7241 NPC168799
Intermediate Similarity 0.7241 NPC155209
Intermediate Similarity 0.7239 NPC213
Intermediate Similarity 0.7239 NPC10286
Intermediate Similarity 0.7234 NPC84076
Intermediate Similarity 0.7234 NPC92207
Intermediate Similarity 0.7234 NPC90128
Intermediate Similarity 0.7234 NPC127937
Intermediate Similarity 0.7234 NPC303680
Intermediate Similarity 0.7222 NPC198388
Intermediate Similarity 0.7222 NPC318799
Intermediate Similarity 0.7222 NPC214869
Intermediate Similarity 0.7214 NPC273686
Intermediate Similarity 0.7214 NPC312404
Intermediate Similarity 0.7209 NPC317592
Intermediate Similarity 0.7206 NPC164706
Intermediate Similarity 0.7206 NPC272471
Intermediate Similarity 0.7206 NPC107588
Intermediate Similarity 0.7206 NPC137537
Intermediate Similarity 0.7206 NPC275519
Intermediate Similarity 0.7206 NPC70744
Intermediate Similarity 0.72 NPC260000
Intermediate Similarity 0.7197 NPC163674
Intermediate Similarity 0.7194 NPC86900
Intermediate Similarity 0.7194 NPC298486
Intermediate Similarity 0.7192 NPC176814
Intermediate Similarity 0.7192 NPC4982
Intermediate Similarity 0.7192 NPC68779
Intermediate Similarity 0.7192 NPC5310
Intermediate Similarity 0.7192 NPC300776
Intermediate Similarity 0.7192 NPC471110

Drug Structure

External Identifiers

TTD   DNAP001383
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   23497
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  211.08
ALogP  -1.754
MLogP  2.01
XLogP  0.376
HDA  3
HBD  3
Rotatable Bonds  8
TPSA  92.78
RO5 Violation  0