Drug Information

Drug ID:  NPD1424
Drug Name:  Trimetazidine
Molecular Formula:  C14H22N2O3
Canonical SMILES:  COc1c(ccc(c1OC)OC)CN1CCNCC1
Standard InCHI:  InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
Standard InCHIKey:  UHWVSEOVJBQKBE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1424

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 0.8705 NPC262641
High Similarity 0.8591 NPC59907
High Similarity 0.8591 NPC37144
High Similarity 0.8521 NPC160692
Intermediate Similarity 0.8414 NPC253429
Intermediate Similarity 0.8389 NPC110337
Intermediate Similarity 0.8345 NPC105513
Intermediate Similarity 0.831 NPC160193
Intermediate Similarity 0.8293 NPC243454
Intermediate Similarity 0.8293 NPC475479
Intermediate Similarity 0.825 NPC204947
Intermediate Similarity 0.8242 NPC239584
Intermediate Similarity 0.8201 NPC298486
Intermediate Similarity 0.8169 NPC172403
Intermediate Similarity 0.8169 NPC291847
Intermediate Similarity 0.8129 NPC114124
Intermediate Similarity 0.8077 NPC477564
Intermediate Similarity 0.8077 NPC2295
Intermediate Similarity 0.8075 NPC13916
Intermediate Similarity 0.8075 NPC264850
Intermediate Similarity 0.8012 NPC24465
Intermediate Similarity 0.7988 NPC317439
Intermediate Similarity 0.7988 NPC227060
Intermediate Similarity 0.7988 NPC76682
Intermediate Similarity 0.7988 NPC317145
Intermediate Similarity 0.7988 NPC63646
Intermediate Similarity 0.7988 NPC198498
Intermediate Similarity 0.7988 NPC115284
Intermediate Similarity 0.7988 NPC276890
Intermediate Similarity 0.7988 NPC10908
Intermediate Similarity 0.7987 NPC7393
Intermediate Similarity 0.7975 NPC204908
Intermediate Similarity 0.7975 NPC83198
Intermediate Similarity 0.7964 NPC474507
Intermediate Similarity 0.7961 NPC294249
Intermediate Similarity 0.7953 NPC11296
Intermediate Similarity 0.7953 NPC82457
Intermediate Similarity 0.7953 NPC175890
Intermediate Similarity 0.7953 NPC281581
Intermediate Similarity 0.7953 NPC274661
Intermediate Similarity 0.7953 NPC48490
Intermediate Similarity 0.7952 NPC476577
Intermediate Similarity 0.7952 NPC148709
Intermediate Similarity 0.7952 NPC173416
Intermediate Similarity 0.7952 NPC112575
Intermediate Similarity 0.7939 NPC12424
Intermediate Similarity 0.7939 NPC129518
Intermediate Similarity 0.7939 NPC41376
Intermediate Similarity 0.7939 NPC251580
Intermediate Similarity 0.7935 NPC60538
Intermediate Similarity 0.7935 NPC207824
Intermediate Similarity 0.7933 NPC314682
Intermediate Similarity 0.7927 NPC75958
Intermediate Similarity 0.7922 NPC210437
Intermediate Similarity 0.7922 NPC106295
Intermediate Similarity 0.7922 NPC51957
Intermediate Similarity 0.7922 NPC476151
Intermediate Similarity 0.7922 NPC16107
Intermediate Similarity 0.7922 NPC476144
Intermediate Similarity 0.7917 NPC474506
Intermediate Similarity 0.7917 NPC32413
Intermediate Similarity 0.7907 NPC60295
Intermediate Similarity 0.7907 NPC191132
Intermediate Similarity 0.7904 NPC23219
Intermediate Similarity 0.7887 NPC217277
Intermediate Similarity 0.7881 NPC213206
Intermediate Similarity 0.7881 NPC328750
Intermediate Similarity 0.7881 NPC188163
Intermediate Similarity 0.7881 NPC474915
Intermediate Similarity 0.7871 NPC7467
Intermediate Similarity 0.7862 NPC126519
Intermediate Similarity 0.7862 NPC203784
Intermediate Similarity 0.7862 NPC170503
Intermediate Similarity 0.7857 NPC470879
Intermediate Similarity 0.7857 NPC473934
Intermediate Similarity 0.7857 NPC258695
Intermediate Similarity 0.7852 NPC131204
Intermediate Similarity 0.7852 NPC301050
Intermediate Similarity 0.7852 NPC7018
Intermediate Similarity 0.7844 NPC293093
Intermediate Similarity 0.784 NPC124433
Intermediate Similarity 0.784 NPC293871
Intermediate Similarity 0.7834 NPC76213
Intermediate Similarity 0.7834 NPC277669
Intermediate Similarity 0.7831 NPC190783
Intermediate Similarity 0.7831 NPC232386
Intermediate Similarity 0.7831 NPC152680
Intermediate Similarity 0.7821 NPC477565
Intermediate Similarity 0.7821 NPC103379
Intermediate Similarity 0.7816 NPC256124
Intermediate Similarity 0.7799 NPC187022
Intermediate Similarity 0.7799 NPC80129
Intermediate Similarity 0.7792 NPC130926
Intermediate Similarity 0.7771 NPC10871
Intermediate Similarity 0.777 NPC120075
Intermediate Similarity 0.775 NPC160931
Intermediate Similarity 0.775 NPC37205
Intermediate Similarity 0.7746 NPC211992
Intermediate Similarity 0.7744 NPC56887
Intermediate Similarity 0.7744 NPC223077
Intermediate Similarity 0.7744 NPC193853
Intermediate Similarity 0.7733 NPC416184
Intermediate Similarity 0.7711 NPC168753
Intermediate Similarity 0.7711 NPC118274
Intermediate Similarity 0.7702 NPC476572
Intermediate Similarity 0.7702 NPC129603
Intermediate Similarity 0.7688 NPC325871
Intermediate Similarity 0.7688 NPC123323
Intermediate Similarity 0.7688 NPC99659
Intermediate Similarity 0.7683 NPC209377
Intermediate Similarity 0.7677 NPC185838
Intermediate Similarity 0.7669 NPC60186
Intermediate Similarity 0.7665 NPC19520
Intermediate Similarity 0.7665 NPC239775
Intermediate Similarity 0.7665 NPC149090
Intermediate Similarity 0.7662 NPC128019
Intermediate Similarity 0.7662 NPC136860
Intermediate Similarity 0.7662 NPC476567
Intermediate Similarity 0.7661 NPC311973
Intermediate Similarity 0.7661 NPC185639
Intermediate Similarity 0.7661 NPC258657
Intermediate Similarity 0.7661 NPC239824
Intermediate Similarity 0.7661 NPC104196
Intermediate Similarity 0.7661 NPC54654
Intermediate Similarity 0.7661 NPC271013
Intermediate Similarity 0.7661 NPC15414
Intermediate Similarity 0.7661 NPC42663
Intermediate Similarity 0.7661 NPC285931
Intermediate Similarity 0.7661 NPC299990
Intermediate Similarity 0.7661 NPC181796
Intermediate Similarity 0.7661 NPC182052
Intermediate Similarity 0.7661 NPC251735
Intermediate Similarity 0.7661 NPC7715
Intermediate Similarity 0.7661 NPC290005
Intermediate Similarity 0.7661 NPC8836
Intermediate Similarity 0.7661 NPC223690
Intermediate Similarity 0.7661 NPC73492
Intermediate Similarity 0.7661 NPC90998
Intermediate Similarity 0.7661 NPC222661
Intermediate Similarity 0.7661 NPC290582
Intermediate Similarity 0.7661 NPC49075
Intermediate Similarity 0.7661 NPC328155
Intermediate Similarity 0.7661 NPC229373
Intermediate Similarity 0.7661 NPC279228
Intermediate Similarity 0.7661 NPC217748
Intermediate Similarity 0.7647 NPC323204
Intermediate Similarity 0.7647 NPC244554
Intermediate Similarity 0.764 NPC190931
Intermediate Similarity 0.763 NPC57036
Intermediate Similarity 0.7622 NPC475393
Intermediate Similarity 0.7619 NPC192135
Intermediate Similarity 0.7619 NPC66341
Intermediate Similarity 0.7619 NPC477020
Intermediate Similarity 0.7616 NPC254441
Intermediate Similarity 0.7616 NPC274716
Intermediate Similarity 0.7616 NPC167116
Intermediate Similarity 0.761 NPC81733
Intermediate Similarity 0.761 NPC326316
Intermediate Similarity 0.7605 NPC477562
Intermediate Similarity 0.7605 NPC26240
Intermediate Similarity 0.7605 NPC69712
Intermediate Similarity 0.7605 NPC6152
Intermediate Similarity 0.7602 NPC195538
Intermediate Similarity 0.7602 NPC286119
Intermediate Similarity 0.7593 NPC65490
Intermediate Similarity 0.7593 NPC148014
Intermediate Similarity 0.7593 NPC315707
Intermediate Similarity 0.7593 NPC40389
Intermediate Similarity 0.7593 NPC78359
Intermediate Similarity 0.7586 NPC186546
Intermediate Similarity 0.7586 NPC476576
Intermediate Similarity 0.758 NPC191376
Intermediate Similarity 0.758 NPC321505
Intermediate Similarity 0.758 NPC179825
Intermediate Similarity 0.7578 NPC127674
Intermediate Similarity 0.7578 NPC39701
Intermediate Similarity 0.7578 NPC249797
Intermediate Similarity 0.7578 NPC189266
Intermediate Similarity 0.7578 NPC5238
Intermediate Similarity 0.7578 NPC244112
Intermediate Similarity 0.7578 NPC41178
Intermediate Similarity 0.7578 NPC2413
Intermediate Similarity 0.7578 NPC93593
Intermediate Similarity 0.7578 NPC184026
Intermediate Similarity 0.7578 NPC295691
Intermediate Similarity 0.7578 NPC204828
Intermediate Similarity 0.7578 NPC216459
Intermediate Similarity 0.7578 NPC193949
Intermediate Similarity 0.7578 NPC172765
Intermediate Similarity 0.7578 NPC110416
Intermediate Similarity 0.7578 NPC138487
Intermediate Similarity 0.7578 NPC469817
Intermediate Similarity 0.7578 NPC276588
Intermediate Similarity 0.7578 NPC207757
Intermediate Similarity 0.7578 NPC54379
Intermediate Similarity 0.7578 NPC278799
Intermediate Similarity 0.7576 NPC39103
Intermediate Similarity 0.7576 NPC2770
Intermediate Similarity 0.7572 NPC249996
Intermediate Similarity 0.7572 NPC16357

Drug Structure

External Identifiers

TTD   DIB015290
DrugBank   DB09069
ChEMBL   CHEMBL203266
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01606
PubChem CID  
ChEBI   94789
CAS Number  5011-34-7

Drug Properties

Molecular Weight  266.16
ALogP  -0.5046
MLogP  2.45
XLogP  0.41
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  42.96
RO5 Violation  0