Drug Information

Drug ID:  NPD9568
Drug Name:  Tyrosine
Molecular Formula:  C9H11NO3
Canonical SMILES:  OC(=O)[C@H](Cc1ccc(cc1)O)N
Standard InCHI:  InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Standard InCHIKey:  OUYCCCASQSFEME-QMMMGPOBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9568

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 NPC106551
High Similarity 1.0 NPC281686
High Similarity 1.0 NPC188867
High Similarity 0.973 NPC239697
High Similarity 0.9464 NPC142638
High Similarity 0.9464 NPC317784
High Similarity 0.9304 NPC27581
High Similarity 0.9217 NPC326079
High Similarity 0.9043 NPC319950
High Similarity 0.9 NPC161593
High Similarity 0.9 NPC145888
High Similarity 0.9 NPC16031
High Similarity 0.8926 NPC325651
High Similarity 0.8814 NPC142577
High Similarity 0.878 NPC48909
High Similarity 0.871 NPC88667
High Similarity 0.8571 NPC56634
High Similarity 0.8519 NPC245561
High Similarity 0.8519 NPC125732
Intermediate Similarity 0.848 NPC326966
Intermediate Similarity 0.8455 NPC321561
Intermediate Similarity 0.8455 NPC476353
Intermediate Similarity 0.844 NPC52472
Intermediate Similarity 0.8387 NPC296712
Intermediate Similarity 0.8333 NPC293628
Intermediate Similarity 0.8333 NPC145638
Intermediate Similarity 0.8333 NPC290566
Intermediate Similarity 0.8333 NPC122493
Intermediate Similarity 0.8333 NPC10781
Intermediate Similarity 0.832 NPC478147
Intermediate Similarity 0.8308 NPC317741
Intermediate Similarity 0.8308 NPC241086
Intermediate Similarity 0.8308 NPC282087
Intermediate Similarity 0.8308 NPC328137
Intermediate Similarity 0.8308 NPC318028
Intermediate Similarity 0.8308 NPC259800
Intermediate Similarity 0.8308 NPC318984
Intermediate Similarity 0.8205 NPC309808
Intermediate Similarity 0.8197 NPC474862
Intermediate Similarity 0.8189 NPC45191
Intermediate Similarity 0.8182 NPC66518
Intermediate Similarity 0.8168 NPC326860
Intermediate Similarity 0.8168 NPC197239
Intermediate Similarity 0.8165 NPC324569
Intermediate Similarity 0.8142 NPC13495
Intermediate Similarity 0.8125 NPC244866
Intermediate Similarity 0.8125 NPC68055
Intermediate Similarity 0.8092 NPC48202
Intermediate Similarity 0.8091 NPC260000
Intermediate Similarity 0.8045 NPC13696
Intermediate Similarity 0.8018 NPC280869
Intermediate Similarity 0.7966 NPC146422
Intermediate Similarity 0.7965 NPC13426
Intermediate Similarity 0.7951 NPC283760
Intermediate Similarity 0.7946 NPC29601
Intermediate Similarity 0.7941 NPC17760
Intermediate Similarity 0.7939 NPC6913
Intermediate Similarity 0.7931 NPC31274
Intermediate Similarity 0.7917 NPC213
Intermediate Similarity 0.7917 NPC10286
Intermediate Similarity 0.7863 NPC326187
Intermediate Similarity 0.7846 NPC470392
Intermediate Similarity 0.7826 NPC67043
Intermediate Similarity 0.7807 NPC164859
Intermediate Similarity 0.7807 NPC178902
Intermediate Similarity 0.7797 NPC222084
Intermediate Similarity 0.7788 NPC155847
Intermediate Similarity 0.7788 NPC289381
Intermediate Similarity 0.7786 NPC243404
Intermediate Similarity 0.7768 NPC107619
Intermediate Similarity 0.7759 NPC317592
Intermediate Similarity 0.7739 NPC8931
Intermediate Similarity 0.7739 NPC120693
Intermediate Similarity 0.7739 NPC261573
Intermediate Similarity 0.7704 NPC91953
Intermediate Similarity 0.7687 NPC238412
Intermediate Similarity 0.7686 NPC118202
Intermediate Similarity 0.7669 NPC6570
Intermediate Similarity 0.7667 NPC17693
Intermediate Similarity 0.7667 NPC48525
Intermediate Similarity 0.7658 NPC81010
Intermediate Similarity 0.7658 NPC32977
Intermediate Similarity 0.7634 NPC257390
Intermediate Similarity 0.763 NPC197921
Intermediate Similarity 0.7627 NPC153690
Intermediate Similarity 0.7627 NPC97811
Intermediate Similarity 0.7623 NPC317254
Intermediate Similarity 0.7623 NPC160179
Intermediate Similarity 0.7611 NPC303611
Intermediate Similarity 0.7611 NPC164514
Intermediate Similarity 0.7611 NPC290515
Intermediate Similarity 0.7611 NPC108606
Intermediate Similarity 0.7611 NPC226096
Intermediate Similarity 0.7607 NPC70843
Intermediate Similarity 0.7607 NPC69332
Intermediate Similarity 0.7607 NPC29989
Intermediate Similarity 0.7607 NPC231705
Intermediate Similarity 0.7607 NPC95178
Intermediate Similarity 0.7607 NPC188677
Intermediate Similarity 0.7603 NPC148969
Intermediate Similarity 0.7603 NPC59387
Intermediate Similarity 0.76 NPC169207
Intermediate Similarity 0.76 NPC115627
Intermediate Similarity 0.76 NPC118522
Intermediate Similarity 0.7597 NPC305717
Intermediate Similarity 0.7594 NPC470441
Intermediate Similarity 0.7583 NPC227553
Intermediate Similarity 0.7583 NPC163674
Intermediate Similarity 0.7581 NPC85276
Intermediate Similarity 0.7576 NPC328070
Intermediate Similarity 0.7574 NPC469360
Intermediate Similarity 0.7563 NPC234639
Intermediate Similarity 0.7563 NPC258056
Intermediate Similarity 0.7561 NPC82963
Intermediate Similarity 0.7544 NPC12730
Intermediate Similarity 0.7542 NPC226699
Intermediate Similarity 0.7542 NPC29883
Intermediate Similarity 0.7542 NPC228737
Intermediate Similarity 0.7542 NPC142297
Intermediate Similarity 0.7541 NPC221870
Intermediate Similarity 0.7537 NPC109580
Intermediate Similarity 0.7519 NPC124776
Intermediate Similarity 0.7518 NPC241392
Intermediate Similarity 0.75 NPC311737
Intermediate Similarity 0.75 NPC319579
Intermediate Similarity 0.75 NPC470202
Intermediate Similarity 0.75 NPC20142
Intermediate Similarity 0.75 NPC474149
Intermediate Similarity 0.75 NPC38458
Intermediate Similarity 0.75 NPC137096
Intermediate Similarity 0.75 NPC215351
Intermediate Similarity 0.7483 NPC473580
Intermediate Similarity 0.7481 NPC242159
Intermediate Similarity 0.7481 NPC313694
Intermediate Similarity 0.7481 NPC473055
Intermediate Similarity 0.7481 NPC473052
Intermediate Similarity 0.748 NPC4665
Intermediate Similarity 0.7479 NPC317305
Intermediate Similarity 0.7479 NPC24101
Intermediate Similarity 0.7479 NPC96224
Intermediate Similarity 0.7458 NPC184658
Intermediate Similarity 0.7458 NPC327481
Intermediate Similarity 0.7458 NPC6984
Intermediate Similarity 0.7438 NPC329011
Intermediate Similarity 0.7434 NPC246679
Intermediate Similarity 0.7431 NPC23167
Intermediate Similarity 0.7426 NPC322526
Intermediate Similarity 0.7419 NPC471928
Intermediate Similarity 0.7419 NPC128249
Intermediate Similarity 0.7419 NPC471925
Intermediate Similarity 0.7419 NPC471924
Intermediate Similarity 0.7417 NPC88141
Intermediate Similarity 0.7417 NPC95172
Intermediate Similarity 0.7407 NPC175313
Intermediate Similarity 0.7397 NPC469243
Intermediate Similarity 0.7391 NPC171843
Intermediate Similarity 0.7387 NPC300017
Intermediate Similarity 0.7377 NPC474584
Intermediate Similarity 0.7373 NPC303141
Intermediate Similarity 0.7373 NPC42383
Intermediate Similarity 0.7364 NPC25493
Intermediate Similarity 0.7364 NPC113460
Intermediate Similarity 0.736 NPC471926
Intermediate Similarity 0.7355 NPC21162
Intermediate Similarity 0.7355 NPC252544
Intermediate Similarity 0.7355 NPC321252
Intermediate Similarity 0.7344 NPC268348
Intermediate Similarity 0.7339 NPC197783
Intermediate Similarity 0.7333 NPC17525
Intermediate Similarity 0.7328 NPC253746
Intermediate Similarity 0.7321 NPC45040
Intermediate Similarity 0.7317 NPC26524
Intermediate Similarity 0.7317 NPC109241
Intermediate Similarity 0.7315 NPC265146
Intermediate Similarity 0.7311 NPC1065
Intermediate Similarity 0.7311 NPC187913
Intermediate Similarity 0.7308 NPC171372
Intermediate Similarity 0.7302 NPC104514
Intermediate Similarity 0.7302 NPC273282
Intermediate Similarity 0.7302 NPC63126
Intermediate Similarity 0.7302 NPC161943
Intermediate Similarity 0.7302 NPC474890
Intermediate Similarity 0.7302 NPC311091
Intermediate Similarity 0.7302 NPC328694
Intermediate Similarity 0.7302 NPC471033
Intermediate Similarity 0.7299 NPC471201
Intermediate Similarity 0.7297 NPC242240
Intermediate Similarity 0.7297 NPC280347
Intermediate Similarity 0.7297 NPC318325
Intermediate Similarity 0.7297 NPC123273
Intermediate Similarity 0.7297 NPC258219
Intermediate Similarity 0.7297 NPC177420
Intermediate Similarity 0.7295 NPC114682
Intermediate Similarity 0.7295 NPC212718
Intermediate Similarity 0.7295 NPC177576
Intermediate Similarity 0.7288 NPC147000
Intermediate Similarity 0.7288 NPC304761
Intermediate Similarity 0.7288 NPC226778
Intermediate Similarity 0.7288 NPC150254
Intermediate Similarity 0.7281 NPC257182

Drug Structure

External Identifiers

TTD   DAP000808
DrugBank   DB00135
ChEMBL   CHEMBL925
IUPHAR/BPS  
PharmaGKB   PA451822
KEGG Drug   D00022
PubChem CID   6057
ChEBI   58315
CAS Number  60-18-4

Drug Properties

Molecular Weight  181.07
ALogP  -1.5447
MLogP  2.01
XLogP  -1.577
HDA  3
HBD  3
Rotatable Bonds  6
TPSA  83.55
RO5 Violation  0