Drug Information

Drug ID:  NPD1553
Drug Name:  Lumiracoxib
Molecular Formula:  C15H13ClFNO2
Canonical SMILES:  OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl
Standard InCHI:  InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
Standard InCHIKey:  KHPKQFYUPIUARC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1553

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
Intermediate Similarity 0.7013 NPC253476
Remote Similarity 0.6987 NPC287358
Remote Similarity 0.6798 NPC470317
Remote Similarity 0.6792 NPC242933
Remote Similarity 0.675 NPC43477
Remote Similarity 0.6733 NPC268534
Remote Similarity 0.671 NPC314098
Remote Similarity 0.6667 NPC300596
Remote Similarity 0.6667 NPC471742
Remote Similarity 0.6667 NPC237649
Remote Similarity 0.6646 NPC173295
Remote Similarity 0.6605 NPC472241
Remote Similarity 0.6601 NPC474926
Remote Similarity 0.6597 NPC313981
Remote Similarity 0.6577 NPC229353
Remote Similarity 0.6576 NPC313293
Remote Similarity 0.6552 NPC182131
Remote Similarity 0.6545 NPC146370
Remote Similarity 0.6538 NPC194562
Remote Similarity 0.6538 NPC316141
Remote Similarity 0.6536 NPC317758
Remote Similarity 0.6531 NPC204303
Remote Similarity 0.649 NPC279385
Remote Similarity 0.649 NPC150323
Remote Similarity 0.649 NPC130931
Remote Similarity 0.649 NPC179605
Remote Similarity 0.6485 NPC472242
Remote Similarity 0.6481 NPC472243
Remote Similarity 0.6481 NPC315051
Remote Similarity 0.6447 NPC103292
Remote Similarity 0.6433 NPC477432
Remote Similarity 0.6416 NPC201424
Remote Similarity 0.641 NPC72473
Remote Similarity 0.641 NPC58827
Remote Similarity 0.641 NPC307437
Remote Similarity 0.6387 NPC472244
Remote Similarity 0.6387 NPC470343
Remote Similarity 0.6387 NPC205946
Remote Similarity 0.6369 NPC209389
Remote Similarity 0.6358 NPC36495
Remote Similarity 0.6348 NPC318183
Remote Similarity 0.6333 NPC471743
Remote Similarity 0.6324 NPC160381
Remote Similarity 0.6323 NPC192533
Remote Similarity 0.6323 NPC226794
Remote Similarity 0.6316 NPC226143
Remote Similarity 0.6298 NPC111275
Remote Similarity 0.6292 NPC471778
Remote Similarity 0.6286 NPC282339
Remote Similarity 0.6286 NPC99632
Remote Similarity 0.6264 NPC213468
Remote Similarity 0.6258 NPC254698
Remote Similarity 0.6242 NPC322433
Remote Similarity 0.6234 NPC257490
Remote Similarity 0.6229 NPC309531
Remote Similarity 0.6229 NPC472102
Remote Similarity 0.6226 NPC314431
Remote Similarity 0.6222 NPC177261
Remote Similarity 0.6207 NPC123241
Remote Similarity 0.6207 NPC61013
Remote Similarity 0.62 NPC205652
Remote Similarity 0.6194 NPC39818
Remote Similarity 0.6193 NPC176983
Remote Similarity 0.6193 NPC286871
Remote Similarity 0.619 NPC472844
Remote Similarity 0.6167 NPC292265
Remote Similarity 0.6164 NPC122235
Remote Similarity 0.6162 NPC477999
Remote Similarity 0.6154 NPC478039
Remote Similarity 0.6154 NPC84347
Remote Similarity 0.6145 NPC78020
Remote Similarity 0.6144 NPC228515
Remote Similarity 0.614 NPC144691
Remote Similarity 0.6136 NPC248117
Remote Similarity 0.6136 NPC27904
Remote Similarity 0.6136 NPC322644
Remote Similarity 0.6125 NPC472245
Remote Similarity 0.6122 NPC302790
Remote Similarity 0.6121 NPC181527
Remote Similarity 0.6108 NPC192270
Remote Similarity 0.6104 NPC177684
Remote Similarity 0.6104 NPC291962
Remote Similarity 0.6102 NPC293458
Remote Similarity 0.6098 NPC325599
Remote Similarity 0.6096 NPC52262
Remote Similarity 0.6096 NPC49184
Remote Similarity 0.6094 NPC85066
Remote Similarity 0.6094 NPC181502
Remote Similarity 0.6093 NPC470550
Remote Similarity 0.6087 NPC219336
Remote Similarity 0.6087 NPC55772
Remote Similarity 0.608 NPC193410
Remote Similarity 0.6077 NPC469671
Remote Similarity 0.6077 NPC126676
Remote Similarity 0.6075 NPC471785
Remote Similarity 0.6074 NPC313352
Remote Similarity 0.6067 NPC204867
Remote Similarity 0.6067 NPC189116
Remote Similarity 0.6066 NPC267885
Remote Similarity 0.6065 NPC112373
Remote Similarity 0.6065 NPC258531
Remote Similarity 0.6065 NPC161956
Remote Similarity 0.6061 NPC159722
Remote Similarity 0.6056 NPC470971
Remote Similarity 0.6054 NPC172170
Remote Similarity 0.6054 NPC79618
Remote Similarity 0.6054 NPC434
Remote Similarity 0.6053 NPC329858
Remote Similarity 0.6053 NPC83111
Remote Similarity 0.6053 NPC5630
Remote Similarity 0.6053 NPC474059
Remote Similarity 0.6049 NPC476687
Remote Similarity 0.6049 NPC476685
Remote Similarity 0.6049 NPC476689
Remote Similarity 0.6048 NPC2823
Remote Similarity 0.6045 NPC315368
Remote Similarity 0.6043 NPC97584
Remote Similarity 0.6036 NPC130797
Remote Similarity 0.6033 NPC217372
Remote Similarity 0.6033 NPC15573
Remote Similarity 0.6033 NPC183662
Remote Similarity 0.6032 NPC181928
Remote Similarity 0.6031 NPC90967
Remote Similarity 0.6027 NPC67043
Remote Similarity 0.6027 NPC476198
Remote Similarity 0.6026 NPC57051
Remote Similarity 0.6024 NPC319645
Remote Similarity 0.6024 NPC83214
Remote Similarity 0.6023 NPC477887
Remote Similarity 0.6022 NPC472118
Remote Similarity 0.6013 NPC147957
Remote Similarity 0.6012 NPC314223
Remote Similarity 0.6011 NPC110500
Remote Similarity 0.6011 NPC149155
Remote Similarity 0.6011 NPC476231
Remote Similarity 0.6011 NPC199737
Remote Similarity 0.6011 NPC303225
Remote Similarity 0.6011 NPC203468
Remote Similarity 0.6 NPC248041
Remote Similarity 0.6 NPC178681
Remote Similarity 0.6 NPC472114
Remote Similarity 0.6 NPC278887
Remote Similarity 0.6 NPC126709
Remote Similarity 0.6 NPC472115
Remote Similarity 0.5989 NPC477159
Remote Similarity 0.5989 NPC6982
Remote Similarity 0.5989 NPC243058
Remote Similarity 0.5988 NPC316746
Remote Similarity 0.5987 NPC471318
Remote Similarity 0.5985 NPC111233
Remote Similarity 0.5985 NPC329064
Remote Similarity 0.5979 NPC303214
Remote Similarity 0.5979 NPC315555
Remote Similarity 0.5978 NPC288785
Remote Similarity 0.597 NPC39679
Remote Similarity 0.5969 NPC473298
Remote Similarity 0.5968 NPC475685
Remote Similarity 0.5966 NPC29285
Remote Similarity 0.5965 NPC259678
Remote Similarity 0.5965 NPC264589
Remote Similarity 0.5963 NPC150863
Remote Similarity 0.5962 NPC317564
Remote Similarity 0.5962 NPC316582
Remote Similarity 0.5959 NPC45850
Remote Similarity 0.5957 NPC172925
Remote Similarity 0.5955 NPC225319
Remote Similarity 0.5947 NPC278434
Remote Similarity 0.5946 NPC219848
Remote Similarity 0.5946 NPC293472
Remote Similarity 0.5946 NPC186669
Remote Similarity 0.5941 NPC190945
Remote Similarity 0.5941 NPC311330
Remote Similarity 0.5938 NPC203628
Remote Similarity 0.5938 NPC314278
Remote Similarity 0.5932 NPC153694
Remote Similarity 0.5932 NPC76982
Remote Similarity 0.5932 NPC211525
Remote Similarity 0.5928 NPC276517
Remote Similarity 0.5926 NPC280807
Remote Similarity 0.5922 NPC472121
Remote Similarity 0.5922 NPC16667
Remote Similarity 0.5916 NPC477998
Remote Similarity 0.5914 NPC99043
Remote Similarity 0.5914 NPC321211
Remote Similarity 0.5914 NPC218594
Remote Similarity 0.5914 NPC256268
Remote Similarity 0.5914 NPC283219
Remote Similarity 0.5902 NPC474814
Remote Similarity 0.5902 NPC112336
Remote Similarity 0.5899 NPC63210
Remote Similarity 0.5899 NPC310403
Remote Similarity 0.5899 NPC243673
Remote Similarity 0.5899 NPC148468
Remote Similarity 0.5899 NPC263709
Remote Similarity 0.5899 NPC97380
Remote Similarity 0.5896 NPC242000
Remote Similarity 0.5895 NPC90415
Remote Similarity 0.5895 NPC62749
Remote Similarity 0.5895 NPC99428
Remote Similarity 0.5895 NPC194040

Drug Structure

External Identifiers

TTD   DAP000970
DrugBank   DB01283
ChEMBL   CHEMBL404108
IUPHAR/BPS   2897
PharmaGKB   PA164769031
KEGG Drug   D03714
PubChem CID   151166
ChEBI   73044
CAS Number  220991-20-8

Drug Properties

Molecular Weight  293.06
ALogP  1.2406
MLogP  2.56
XLogP  4.306
HDA  3
HBD  2
Rotatable Bonds  8
TPSA  49.33
RO5 Violation  0