Drug Information

Drug ID:  NPD1532
Drug Name:  Bromfenac
Molecular Formula:  C15H12BrNO3
Canonical SMILES:  OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
Standard InCHI:  InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
Standard InCHIKey:  ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1532

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 0.7643 NPC58827
Intermediate Similarity 0.7643 NPC72473
Intermediate Similarity 0.7643 NPC307437
Intermediate Similarity 0.7535 NPC477432
Intermediate Similarity 0.7518 NPC130931
Intermediate Similarity 0.7467 NPC130797
Intermediate Similarity 0.7246 NPC229353
Intermediate Similarity 0.7197 NPC172170
Intermediate Similarity 0.7183 NPC226794
Intermediate Similarity 0.7103 NPC122235
Intermediate Similarity 0.7095 NPC253476
Intermediate Similarity 0.7007 NPC316746
Intermediate Similarity 0.7006 NPC13526
Remote Similarity 0.6954 NPC159722
Remote Similarity 0.6954 NPC43218
Remote Similarity 0.6943 NPC300596
Remote Similarity 0.6943 NPC237649
Remote Similarity 0.6923 NPC268534
Remote Similarity 0.6908 NPC181527
Remote Similarity 0.6901 NPC150323
Remote Similarity 0.6899 NPC241392
Remote Similarity 0.6894 NPC329556
Remote Similarity 0.6824 NPC194562
Remote Similarity 0.6818 NPC43477
Remote Similarity 0.6711 NPC173295
Remote Similarity 0.671 NPC316202
Remote Similarity 0.6709 NPC470579
Remote Similarity 0.6667 NPC205946
Remote Similarity 0.6667 NPC470317
Remote Similarity 0.6667 NPC179605
Remote Similarity 0.6667 NPC279385
Remote Similarity 0.6644 NPC209389
Remote Similarity 0.6624 NPC314287
Remote Similarity 0.6621 NPC257490
Remote Similarity 0.6621 NPC103292
Remote Similarity 0.6604 NPC259678
Remote Similarity 0.6599 NPC317758
Remote Similarity 0.6575 NPC39818
Remote Similarity 0.6531 NPC254698
Remote Similarity 0.6516 NPC316574
Remote Similarity 0.6509 NPC182131
Remote Similarity 0.6488 NPC189116
Remote Similarity 0.6483 NPC177684
Remote Similarity 0.6483 NPC291962
Remote Similarity 0.6481 NPC144691
Remote Similarity 0.6474 NPC471743
Remote Similarity 0.6467 NPC27904
Remote Similarity 0.6447 NPC314098
Remote Similarity 0.6444 NPC313293
Remote Similarity 0.6438 NPC161956
Remote Similarity 0.6438 NPC112373
Remote Similarity 0.6438 NPC258531
Remote Similarity 0.6433 NPC472243
Remote Similarity 0.6433 NPC181526
Remote Similarity 0.6433 NPC314252
Remote Similarity 0.6424 NPC114808
Remote Similarity 0.6423 NPC134120
Remote Similarity 0.6403 NPC318327
Remote Similarity 0.64 NPC314278
Remote Similarity 0.6397 NPC255676
Remote Similarity 0.6385 NPC110704
Remote Similarity 0.6376 NPC192533
Remote Similarity 0.6364 NPC172925
Remote Similarity 0.6352 NPC472241
Remote Similarity 0.6348 NPC471742
Remote Similarity 0.6333 NPC472244
Remote Similarity 0.6333 NPC470343
Remote Similarity 0.6329 NPC242933
Remote Similarity 0.6324 NPC25458
Remote Similarity 0.6324 NPC41488
Remote Similarity 0.6304 NPC105899
Remote Similarity 0.6294 NPC204867
Remote Similarity 0.6279 NPC329064
Remote Similarity 0.6279 NPC473345
Remote Similarity 0.6276 NPC158157
Remote Similarity 0.6273 NPC323798
Remote Similarity 0.6271 NPC475685
Remote Similarity 0.6268 NPC66208
Remote Similarity 0.6264 NPC177261
Remote Similarity 0.6259 NPC226143
Remote Similarity 0.625 NPC205652
Remote Similarity 0.6235 NPC472242
Remote Similarity 0.6226 NPC315051
Remote Similarity 0.6225 NPC474926
Remote Similarity 0.6209 NPC477998
Remote Similarity 0.6194 NPC40364
Remote Similarity 0.6193 NPC8467
Remote Similarity 0.6181 NPC471721
Remote Similarity 0.6176 NPC93653
Remote Similarity 0.6176 NPC217621
Remote Similarity 0.6169 NPC314431
Remote Similarity 0.6154 NPC186128
Remote Similarity 0.6149 NPC301702
Remote Similarity 0.6149 NPC13696
Remote Similarity 0.6149 NPC472118
Remote Similarity 0.6149 NPC471778
Remote Similarity 0.6148 NPC10781
Remote Similarity 0.6148 NPC324569
Remote Similarity 0.6148 NPC293628
Remote Similarity 0.6148 NPC122493
Remote Similarity 0.6146 NPC82053
Remote Similarity 0.6143 NPC37914
Remote Similarity 0.614 NPC475983
Remote Similarity 0.6138 NPC470550
Remote Similarity 0.6138 NPC186933
Remote Similarity 0.6136 NPC475594
Remote Similarity 0.6125 NPC238108
Remote Similarity 0.6115 NPC249067
Remote Similarity 0.6115 NPC38262
Remote Similarity 0.6115 NPC329282
Remote Similarity 0.6114 NPC318183
Remote Similarity 0.6111 NPC93287
Remote Similarity 0.6102 NPC475607
Remote Similarity 0.6098 NPC478039
Remote Similarity 0.6087 NPC304873
Remote Similarity 0.6078 NPC322433
Remote Similarity 0.6071 NPC172483
Remote Similarity 0.6069 NPC196673
Remote Similarity 0.6067 NPC474081
Remote Similarity 0.6067 NPC219848
Remote Similarity 0.6066 NPC473815
Remote Similarity 0.6065 NPC472245
Remote Similarity 0.6062 NPC319645
Remote Similarity 0.6061 NPC315829
Remote Similarity 0.6058 NPC228435
Remote Similarity 0.6054 NPC147957
Remote Similarity 0.6053 NPC285394
Remote Similarity 0.6047 NPC199737
Remote Similarity 0.6047 NPC257763
Remote Similarity 0.6045 NPC470548
Remote Similarity 0.6045 NPC261181
Remote Similarity 0.6043 NPC274443
Remote Similarity 0.6043 NPC21483
Remote Similarity 0.6043 NPC247976
Remote Similarity 0.6043 NPC476205
Remote Similarity 0.6043 NPC476212
Remote Similarity 0.6043 NPC198205
Remote Similarity 0.6043 NPC476206
Remote Similarity 0.6043 NPC259791
Remote Similarity 0.6043 NPC476207
Remote Similarity 0.6043 NPC178681
Remote Similarity 0.6043 NPC476129
Remote Similarity 0.6043 NPC476257
Remote Similarity 0.6043 NPC476256
Remote Similarity 0.6034 NPC475761
Remote Similarity 0.6034 NPC474041
Remote Similarity 0.6034 NPC256268
Remote Similarity 0.6029 NPC253423
Remote Similarity 0.6025 NPC207554
Remote Similarity 0.6022 NPC243058
Remote Similarity 0.6016 NPC285773
Remote Similarity 0.6011 NPC476218
Remote Similarity 0.6011 NPC108804
Remote Similarity 0.6011 NPC84347
Remote Similarity 0.6 NPC122553
Remote Similarity 0.6 NPC287358
Remote Similarity 0.6 NPC283810
Remote Similarity 0.5989 NPC203635
Remote Similarity 0.5988 NPC322644
Remote Similarity 0.5988 NPC471164
Remote Similarity 0.5986 NPC203732
Remote Similarity 0.5985 NPC229242
Remote Similarity 0.5979 NPC198390
Remote Similarity 0.5978 NPC9475
Remote Similarity 0.5977 NPC470069
Remote Similarity 0.5977 NPC52059
Remote Similarity 0.5976 NPC136002
Remote Similarity 0.5972 NPC319579
Remote Similarity 0.5972 NPC474057
Remote Similarity 0.5971 NPC222390
Remote Similarity 0.5971 NPC244427
Remote Similarity 0.5963 NPC471316
Remote Similarity 0.5963 NPC83214
Remote Similarity 0.5957 NPC476198
Remote Similarity 0.5956 NPC49184
Remote Similarity 0.5956 NPC61944
Remote Similarity 0.5954 NPC88970
Remote Similarity 0.5954 NPC322387
Remote Similarity 0.5948 NPC318067
Remote Similarity 0.5947 NPC311054
Remote Similarity 0.5947 NPC112752
Remote Similarity 0.5944 NPC475094
Remote Similarity 0.594 NPC62765
Remote Similarity 0.5932 NPC292265
Remote Similarity 0.5932 NPC474814
Remote Similarity 0.5932 NPC112336
Remote Similarity 0.5931 NPC158282
Remote Similarity 0.5931 NPC292834
Remote Similarity 0.5929 NPC164859
Remote Similarity 0.5926 NPC471236
Remote Similarity 0.5926 NPC197766
Remote Similarity 0.5926 NPC291070
Remote Similarity 0.5926 NPC246757
Remote Similarity 0.5926 NPC34243
Remote Similarity 0.5924 NPC90415
Remote Similarity 0.5923 NPC95965
Remote Similarity 0.5921 NPC269923
Remote Similarity 0.5921 NPC167323
Remote Similarity 0.592 NPC113056
Remote Similarity 0.592 NPC138293

Drug Structure

External Identifiers

TTD   DAP000732
DrugBank   DB00963
ChEMBL   CHEMBL1077
IUPHAR/BPS   7131
PharmaGKB   PA448670
KEGG Drug  
PubChem CID   60726
ChEBI   240107
CAS Number  91714-94-2

Drug Properties

Molecular Weight  333.00
ALogP  -0.3299
MLogP  2.56
XLogP  3.684
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  80.39
RO5 Violation  0