Drug Information

Drug ID:  NPD1564
Drug Name:  Flurbiprofen
Molecular Formula:  C15H13FO2
Canonical SMILES:  OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C
Standard InCHI:  InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Standard InCHIKey:  SYTBZMRGLBWNTM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1564

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 0.9121 NPC86670
High Similarity 0.9121 NPC70940
High Similarity 0.9121 NPC274455
High Similarity 0.9 NPC322387
High Similarity 0.8737 NPC172925
High Similarity 0.8556 NPC285773
High Similarity 0.8515 NPC105899
Intermediate Similarity 0.8495 NPC329064
Intermediate Similarity 0.8317 NPC329556
Intermediate Similarity 0.8265 NPC261947
Intermediate Similarity 0.8229 NPC86987
Intermediate Similarity 0.8222 NPC127343
Intermediate Similarity 0.8218 NPC304873
Intermediate Similarity 0.8208 NPC66208
Intermediate Similarity 0.8152 NPC44830
Intermediate Similarity 0.8152 NPC288903
Intermediate Similarity 0.8119 NPC133809
Intermediate Similarity 0.8119 NPC225079
Intermediate Similarity 0.8119 NPC128248
Intermediate Similarity 0.8119 NPC136810
Intermediate Similarity 0.8095 NPC318327
Intermediate Similarity 0.8077 NPC142326
Intermediate Similarity 0.8077 NPC94751
Intermediate Similarity 0.8021 NPC9822
Intermediate Similarity 0.802 NPC217621
Intermediate Similarity 0.7979 NPC95965
Intermediate Similarity 0.7979 NPC294134
Intermediate Similarity 0.7961 NPC255676
Intermediate Similarity 0.7864 NPC25458
Intermediate Similarity 0.7822 NPC253423
Intermediate Similarity 0.7822 NPC226041
Intermediate Similarity 0.7778 NPC475002
Intermediate Similarity 0.7778 NPC95126
Intermediate Similarity 0.7767 NPC264728
Intermediate Similarity 0.7745 NPC229242
Intermediate Similarity 0.7736 NPC37914
Intermediate Similarity 0.7727 NPC471721
Intermediate Similarity 0.7714 NPC329282
Intermediate Similarity 0.7699 NPC328694
Intermediate Similarity 0.7677 NPC317645
Intermediate Similarity 0.7677 NPC110704
Intermediate Similarity 0.767 NPC221825
Intermediate Similarity 0.7664 NPC249811
Intermediate Similarity 0.7658 NPC186933
Intermediate Similarity 0.7647 NPC477767
Intermediate Similarity 0.7642 NPC471186
Intermediate Similarity 0.7596 NPC473325
Intermediate Similarity 0.7579 NPC270507
Intermediate Similarity 0.7573 NPC120393
Intermediate Similarity 0.7549 NPC61944
Intermediate Similarity 0.7549 NPC469893
Intermediate Similarity 0.7525 NPC34243
Intermediate Similarity 0.7525 NPC261181
Intermediate Similarity 0.75 NPC267704
Intermediate Similarity 0.75 NPC187725
Intermediate Similarity 0.75 NPC221275
Intermediate Similarity 0.75 NPC476042
Intermediate Similarity 0.75 NPC141607
Intermediate Similarity 0.7477 NPC134120
Intermediate Similarity 0.7477 NPC93287
Intermediate Similarity 0.7477 NPC172483
Intermediate Similarity 0.7476 NPC469892
Intermediate Similarity 0.7476 NPC469891
Intermediate Similarity 0.7476 NPC469890
Intermediate Similarity 0.7476 NPC270654
Intermediate Similarity 0.7474 NPC323103
Intermediate Similarity 0.7474 NPC103387
Intermediate Similarity 0.7453 NPC247976
Intermediate Similarity 0.7453 NPC274443
Intermediate Similarity 0.7447 NPC121800
Intermediate Similarity 0.7419 NPC224544
Intermediate Similarity 0.7419 NPC103488
Intermediate Similarity 0.7407 NPC85560
Intermediate Similarity 0.7407 NPC244933
Intermediate Similarity 0.7404 NPC175852
Intermediate Similarity 0.7404 NPC210529
Intermediate Similarity 0.7404 NPC271475
Intermediate Similarity 0.7404 NPC160548
Intermediate Similarity 0.74 NPC84288
Intermediate Similarity 0.74 NPC62765
Intermediate Similarity 0.7387 NPC186128
Intermediate Similarity 0.7383 NPC472221
Intermediate Similarity 0.7383 NPC472222
Intermediate Similarity 0.7368 NPC212891
Intermediate Similarity 0.7368 NPC158157
Intermediate Similarity 0.7358 NPC222390
Intermediate Similarity 0.7358 NPC244427
Intermediate Similarity 0.7358 NPC284477
Intermediate Similarity 0.734 NPC170484
Intermediate Similarity 0.7339 NPC156648
Intermediate Similarity 0.7333 NPC155429
Intermediate Similarity 0.7333 NPC7435
Intermediate Similarity 0.7311 NPC318067
Intermediate Similarity 0.7308 NPC289201
Intermediate Similarity 0.7304 NPC45794
Intermediate Similarity 0.73 NPC231591
Intermediate Similarity 0.7297 NPC474057
Intermediate Similarity 0.729 NPC160382
Intermediate Similarity 0.7283 NPC189371
Intermediate Similarity 0.7282 NPC206764
Intermediate Similarity 0.7273 NPC69057
Intermediate Similarity 0.7273 NPC281604
Intermediate Similarity 0.7264 NPC282895
Intermediate Similarity 0.7264 NPC469481
Intermediate Similarity 0.7264 NPC42211
Intermediate Similarity 0.7264 NPC52472
Intermediate Similarity 0.7263 NPC157055
Intermediate Similarity 0.7263 NPC17408
Intermediate Similarity 0.7263 NPC285716
Intermediate Similarity 0.7255 NPC323164
Intermediate Similarity 0.725 NPC111088
Intermediate Similarity 0.7248 NPC100767
Intermediate Similarity 0.7248 NPC185763
Intermediate Similarity 0.7248 NPC83409
Intermediate Similarity 0.7245 NPC475710
Intermediate Similarity 0.7241 NPC318173
Intermediate Similarity 0.7232 NPC471188
Intermediate Similarity 0.7232 NPC292834
Intermediate Similarity 0.7232 NPC471189
Intermediate Similarity 0.7228 NPC277277
Intermediate Similarity 0.7222 NPC249067
Intermediate Similarity 0.72 NPC477693
Intermediate Similarity 0.72 NPC477704
Intermediate Similarity 0.7196 NPC475978
Intermediate Similarity 0.7196 NPC474820
Intermediate Similarity 0.7193 NPC476357
Intermediate Similarity 0.7182 NPC21929
Intermediate Similarity 0.7172 NPC93843
Intermediate Similarity 0.7172 NPC474211
Intermediate Similarity 0.7172 NPC318107
Intermediate Similarity 0.717 NPC245561
Intermediate Similarity 0.717 NPC118343
Intermediate Similarity 0.717 NPC228435
Intermediate Similarity 0.717 NPC203925
Intermediate Similarity 0.7168 NPC128368
Intermediate Similarity 0.7168 NPC143768
Intermediate Similarity 0.7158 NPC272260
Intermediate Similarity 0.7143 NPC156021
Intermediate Similarity 0.7143 NPC269923
Intermediate Similarity 0.7143 NPC167323
Intermediate Similarity 0.7143 NPC168855
Intermediate Similarity 0.7143 NPC265513
Intermediate Similarity 0.713 NPC9274
Intermediate Similarity 0.713 NPC13426
Intermediate Similarity 0.7128 NPC298023
Intermediate Similarity 0.7128 NPC9796
Intermediate Similarity 0.7119 NPC234337
Intermediate Similarity 0.7119 NPC183339
Intermediate Similarity 0.7119 NPC133389
Intermediate Similarity 0.7117 NPC85493
Intermediate Similarity 0.7115 NPC130398
Intermediate Similarity 0.7113 NPC230068
Intermediate Similarity 0.7105 NPC196673
Intermediate Similarity 0.7105 NPC109241
Intermediate Similarity 0.7105 NPC294458
Intermediate Similarity 0.7103 NPC70624
Intermediate Similarity 0.7103 NPC94487
Intermediate Similarity 0.7087 NPC128645
Intermediate Similarity 0.7083 NPC95868
Intermediate Similarity 0.7083 NPC477703
Intermediate Similarity 0.708 NPC79496
Intermediate Similarity 0.708 NPC158282
Intermediate Similarity 0.708 NPC280789
Intermediate Similarity 0.7075 NPC49994
Intermediate Similarity 0.7075 NPC317280
Intermediate Similarity 0.7075 NPC329387
Intermediate Similarity 0.7075 NPC225060
Intermediate Similarity 0.7071 NPC474354
Intermediate Similarity 0.7071 NPC252067
Intermediate Similarity 0.7065 NPC285679
Intermediate Similarity 0.7064 NPC261573
Intermediate Similarity 0.7064 NPC269644
Intermediate Similarity 0.7064 NPC8931
Intermediate Similarity 0.7064 NPC120693
Intermediate Similarity 0.7064 NPC19136
Intermediate Similarity 0.7059 NPC26224
Intermediate Similarity 0.7059 NPC241001
Intermediate Similarity 0.7048 NPC12695
Intermediate Similarity 0.7043 NPC93181
Intermediate Similarity 0.7041 NPC477770
Intermediate Similarity 0.7041 NPC273758
Intermediate Similarity 0.7037 NPC188895
Intermediate Similarity 0.7034 NPC42657
Intermediate Similarity 0.7034 NPC202015
Intermediate Similarity 0.7027 NPC112903
Intermediate Similarity 0.7027 NPC203732
Intermediate Similarity 0.7025 NPC85511
Intermediate Similarity 0.7025 NPC328107
Intermediate Similarity 0.7019 NPC289883
Intermediate Similarity 0.7018 NPC470253
Intermediate Similarity 0.701 NPC133050
Intermediate Similarity 0.701 NPC145053
Intermediate Similarity 0.701 NPC12936
Intermediate Similarity 0.701 NPC273033
Intermediate Similarity 0.7009 NPC280869
Intermediate Similarity 0.7009 NPC76308
Intermediate Similarity 0.7009 NPC12730
Intermediate Similarity 0.7009 NPC228318
Intermediate Similarity 0.7009 NPC146351
Intermediate Similarity 0.7009 NPC325295

Drug Structure

External Identifiers

TTD   DAP000621
DrugBank   DB00712
ChEMBL   CHEMBL563
IUPHAR/BPS   4194
PharmaGKB   PA449683
KEGG Drug   D00330
PubChem CID   3394
ChEBI   5130
CAS Number  5104-49-4

Drug Properties

Molecular Weight  244.09
ALogP  0.5347
MLogP  2.78
XLogP  5.507
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  37.3
RO5 Violation  1