Drug Information

Drug ID:  NPD255
Drug Name:  methyltyrosine
Molecular Formula:  C10H13NO3
Canonical SMILES:  Oc1ccc(cc1)CC(C(=O)O)(N)C
Standard InCHI:  InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)
Standard InCHIKey:  NHTGHBARYWONDQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD255

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 0.9369 NPC281686
High Similarity 0.9369 NPC106551
High Similarity 0.9369 NPC188867
High Similarity 0.9123 NPC239697
High Similarity 0.8992 NPC321561
High Similarity 0.887 NPC317784
High Similarity 0.887 NPC142638
High Similarity 0.8793 NPC319950
High Similarity 0.8729 NPC27581
High Similarity 0.8644 NPC326079
High Similarity 0.8598 NPC245561
High Similarity 0.8571 NPC142577
High Similarity 0.8519 NPC52472
Intermediate Similarity 0.8455 NPC161593
Intermediate Similarity 0.8455 NPC16031
Intermediate Similarity 0.8455 NPC145888
Intermediate Similarity 0.8387 NPC325651
Intermediate Similarity 0.8374 NPC476353
Intermediate Similarity 0.8333 NPC88667
Intermediate Similarity 0.8333 NPC56634
Intermediate Similarity 0.8333 NPC260000
Intermediate Similarity 0.8306 NPC296712
Intermediate Similarity 0.8276 NPC309808
Intermediate Similarity 0.8257 NPC280869
Intermediate Similarity 0.8254 NPC48909
Intermediate Similarity 0.8214 NPC13495
Intermediate Similarity 0.8158 NPC31274
Intermediate Similarity 0.811 NPC326966
Intermediate Similarity 0.8095 NPC478147
Intermediate Similarity 0.8091 NPC125732
Intermediate Similarity 0.8036 NPC13426
Intermediate Similarity 0.7969 NPC45191
Intermediate Similarity 0.7967 NPC474862
Intermediate Similarity 0.7965 NPC8931
Intermediate Similarity 0.7965 NPC261573
Intermediate Similarity 0.7965 NPC120693
Intermediate Similarity 0.7931 NPC326187
Intermediate Similarity 0.7931 NPC290566
Intermediate Similarity 0.7931 NPC145638
Intermediate Similarity 0.7913 NPC228737
Intermediate Similarity 0.7907 NPC244866
Intermediate Similarity 0.7881 NPC48525
Intermediate Similarity 0.7881 NPC17693
Intermediate Similarity 0.7863 NPC222084
Intermediate Similarity 0.7845 NPC317305
Intermediate Similarity 0.7838 NPC107619
Intermediate Similarity 0.7836 NPC66518
Intermediate Similarity 0.7826 NPC188677
Intermediate Similarity 0.7826 NPC317592
Intermediate Similarity 0.782 NPC241086
Intermediate Similarity 0.782 NPC259800
Intermediate Similarity 0.782 NPC282087
Intermediate Similarity 0.782 NPC328137
Intermediate Similarity 0.782 NPC318028
Intermediate Similarity 0.782 NPC317741
Intermediate Similarity 0.782 NPC318984
Intermediate Similarity 0.7815 NPC148969
Intermediate Similarity 0.7778 NPC234639
Intermediate Similarity 0.7778 NPC95172
Intermediate Similarity 0.7759 NPC226699
Intermediate Similarity 0.775 NPC221870
Intermediate Similarity 0.7748 NPC10781
Intermediate Similarity 0.7748 NPC293628
Intermediate Similarity 0.7748 NPC122493
Intermediate Similarity 0.7739 NPC303141
Intermediate Similarity 0.7727 NPC32977
Intermediate Similarity 0.7727 NPC81010
Intermediate Similarity 0.7719 NPC470202
Intermediate Similarity 0.7719 NPC68055
Intermediate Similarity 0.7719 NPC178902
Intermediate Similarity 0.7704 NPC13696
Intermediate Similarity 0.7699 NPC155847
Intermediate Similarity 0.7699 NPC289381
Intermediate Similarity 0.7687 NPC197239
Intermediate Similarity 0.7687 NPC326860
Intermediate Similarity 0.7686 NPC160179
Intermediate Similarity 0.7686 NPC10286
Intermediate Similarity 0.7686 NPC213
Intermediate Similarity 0.7685 NPC318325
Intermediate Similarity 0.7685 NPC123273
Intermediate Similarity 0.7685 NPC258219
Intermediate Similarity 0.7685 NPC242240
Intermediate Similarity 0.7672 NPC95178
Intermediate Similarity 0.7672 NPC70843
Intermediate Similarity 0.7672 NPC69332
Intermediate Similarity 0.7672 NPC29989
Intermediate Similarity 0.7672 NPC6984
Intermediate Similarity 0.7667 NPC109241
Intermediate Similarity 0.7664 NPC23167
Intermediate Similarity 0.7642 NPC273282
Intermediate Similarity 0.7642 NPC328694
Intermediate Similarity 0.7642 NPC474890
Intermediate Similarity 0.7642 NPC161943
Intermediate Similarity 0.7634 NPC470392
Intermediate Similarity 0.7632 NPC472585
Intermediate Similarity 0.763 NPC91953
Intermediate Similarity 0.7627 NPC88141
Intermediate Similarity 0.7623 NPC471925
Intermediate Similarity 0.7623 NPC471924
Intermediate Similarity 0.7623 NPC471928
Intermediate Similarity 0.7612 NPC48202
Intermediate Similarity 0.7611 NPC171843
Intermediate Similarity 0.7607 NPC29883
Intermediate Similarity 0.7594 NPC6913
Intermediate Similarity 0.7593 NPC25493
Intermediate Similarity 0.7593 NPC113460
Intermediate Similarity 0.7589 NPC324569
Intermediate Similarity 0.7586 NPC243677
Intermediate Similarity 0.7583 NPC146422
Intermediate Similarity 0.7581 NPC283760
Intermediate Similarity 0.7581 NPC42657
Intermediate Similarity 0.7576 NPC243404
Intermediate Similarity 0.757 NPC197783
Intermediate Similarity 0.7563 NPC252544
Intermediate Similarity 0.7563 NPC321252
Intermediate Similarity 0.7563 NPC474149
Intermediate Similarity 0.7561 NPC471926
Intermediate Similarity 0.7556 NPC197921
Intermediate Similarity 0.7545 NPC304541
Intermediate Similarity 0.7545 NPC45040
Intermediate Similarity 0.7544 NPC29601
Intermediate Similarity 0.7544 NPC253746
Intermediate Similarity 0.7541 NPC4665
Intermediate Similarity 0.754 NPC268348
Intermediate Similarity 0.7523 NPC280347
Intermediate Similarity 0.7523 NPC177420
Intermediate Similarity 0.7521 NPC242136
Intermediate Similarity 0.7521 NPC1065
Intermediate Similarity 0.7521 NPC184658
Intermediate Similarity 0.7521 NPC231705
Intermediate Similarity 0.7519 NPC305717
Intermediate Similarity 0.75 NPC328070
Intermediate Similarity 0.75 NPC177576
Intermediate Similarity 0.75 NPC104514
Intermediate Similarity 0.75 NPC26244
Intermediate Similarity 0.75 NPC246679
Intermediate Similarity 0.7482 NPC17760
Intermediate Similarity 0.748 NPC128249
Intermediate Similarity 0.748 NPC131192
Intermediate Similarity 0.748 NPC83718
Intermediate Similarity 0.7479 NPC75272
Intermediate Similarity 0.7479 NPC258056
Intermediate Similarity 0.7479 NPC471954
Intermediate Similarity 0.7477 NPC175313
Intermediate Similarity 0.7477 NPC248817
Intermediate Similarity 0.7477 NPC325292
Intermediate Similarity 0.7477 NPC181709
Intermediate Similarity 0.7477 NPC138117
Intermediate Similarity 0.7463 NPC109580
Intermediate Similarity 0.7463 NPC6570
Intermediate Similarity 0.746 NPC164852
Intermediate Similarity 0.746 NPC241001
Intermediate Similarity 0.7459 NPC118202
Intermediate Similarity 0.7458 NPC34715
Intermediate Similarity 0.7458 NPC142297
Intermediate Similarity 0.7455 NPC55561
Intermediate Similarity 0.7455 NPC300017
Intermediate Similarity 0.7438 NPC286222
Intermediate Similarity 0.7436 NPC67043
Intermediate Similarity 0.7434 NPC473388
Intermediate Similarity 0.7424 NPC257390
Intermediate Similarity 0.7419 NPC160199
Intermediate Similarity 0.7417 NPC63345
Intermediate Similarity 0.7417 NPC21162
Intermediate Similarity 0.7414 NPC304638
Intermediate Similarity 0.7411 NPC27323
Intermediate Similarity 0.7411 NPC316301
Intermediate Similarity 0.7411 NPC128062
Intermediate Similarity 0.7411 NPC151715
Intermediate Similarity 0.7407 NPC473055
Intermediate Similarity 0.7407 NPC473052
Intermediate Similarity 0.7398 NPC317254
Intermediate Similarity 0.7398 NPC23402
Intermediate Similarity 0.7395 NPC153690
Intermediate Similarity 0.7395 NPC224584
Intermediate Similarity 0.7395 NPC17525
Intermediate Similarity 0.7395 NPC470039
Intermediate Similarity 0.7388 NPC470441
Intermediate Similarity 0.7387 NPC204210
Intermediate Similarity 0.7387 NPC155908
Intermediate Similarity 0.7383 NPC124436
Intermediate Similarity 0.7383 NPC265146
Intermediate Similarity 0.7381 NPC478121
Intermediate Similarity 0.7377 NPC211421
Intermediate Similarity 0.7377 NPC11824
Intermediate Similarity 0.7373 NPC187913
Intermediate Similarity 0.7372 NPC469360
Intermediate Similarity 0.736 NPC94298
Intermediate Similarity 0.736 NPC311091
Intermediate Similarity 0.736 NPC471033
Intermediate Similarity 0.736 NPC85276
Intermediate Similarity 0.736 NPC63126
Intermediate Similarity 0.736 NPC27633
Intermediate Similarity 0.7355 NPC228609
Intermediate Similarity 0.7355 NPC114682
Intermediate Similarity 0.7355 NPC212718
Intermediate Similarity 0.7355 NPC227553
Intermediate Similarity 0.7355 NPC163674
Intermediate Similarity 0.7353 NPC238412
Intermediate Similarity 0.7353 NPC322526

Drug Structure

External Identifiers

TTD   DAP000471
DrugBank  
ChEMBL  
IUPHAR/BPS   5094
PharmaGKB  
KEGG Drug  
PubChem CID   3125
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  195.09
ALogP  -0.9742
MLogP  2.12
XLogP  -1.467
HDA  3
HBD  3
Rotatable Bonds  7
TPSA  83.55
RO5 Violation  0