Drug Information

Drug ID:  NPD708
Drug Name:  Pirfenidone
Molecular Formula:  C12H11NO
Canonical SMILES:  Cc1ccc(=O)n(c1)c1ccccc1
Standard InCHI:  InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
Standard InCHIKey:  ISWRGOKTTBVCFA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD708

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 0.86 NPC75496
Intermediate Similarity 0.8155 NPC326792
Intermediate Similarity 0.787 NPC20322
Intermediate Similarity 0.7521 NPC177684
Intermediate Similarity 0.7521 NPC250476
Intermediate Similarity 0.7521 NPC291962
Intermediate Similarity 0.7458 NPC112373
Intermediate Similarity 0.7458 NPC258531
Intermediate Similarity 0.7458 NPC161956
Intermediate Similarity 0.7395 NPC257490
Intermediate Similarity 0.7304 NPC57051
Intermediate Similarity 0.728 NPC231382
Intermediate Similarity 0.7273 NPC134825
Intermediate Similarity 0.7248 NPC291610
Intermediate Similarity 0.7203 NPC31651
Intermediate Similarity 0.7157 NPC305602
Intermediate Similarity 0.7157 NPC17497
Intermediate Similarity 0.7129 NPC229477
Intermediate Similarity 0.7083 NPC226143
Intermediate Similarity 0.7045 NPC301760
Intermediate Similarity 0.7025 NPC279385
Intermediate Similarity 0.7025 NPC179605
Intermediate Similarity 0.7025 NPC316582
Intermediate Similarity 0.7009 NPC256452
Intermediate Similarity 0.7 NPC228515
Remote Similarity 0.6977 NPC316104
Remote Similarity 0.6977 NPC162417
Remote Similarity 0.697 NPC130251
Remote Similarity 0.6967 NPC103292
Remote Similarity 0.6953 NPC53044
Remote Similarity 0.6953 NPC207428
Remote Similarity 0.6923 NPC300299
Remote Similarity 0.6917 NPC471164
Remote Similarity 0.6911 NPC39818
Remote Similarity 0.69 NPC307456
Remote Similarity 0.6866 NPC238499
Remote Similarity 0.6864 NPC187036
Remote Similarity 0.6822 NPC473661
Remote Similarity 0.6797 NPC187231
Remote Similarity 0.6767 NPC469560
Remote Similarity 0.6765 NPC15839
Remote Similarity 0.6727 NPC472258
Remote Similarity 0.6723 NPC296163
Remote Similarity 0.6693 NPC322433
Remote Similarity 0.6691 NPC308197
Remote Similarity 0.6667 NPC53492
Remote Similarity 0.6642 NPC83214
Remote Similarity 0.6639 NPC313449
Remote Similarity 0.6636 NPC78154
Remote Similarity 0.6617 NPC325599
Remote Similarity 0.6614 NPC470343
Remote Similarity 0.6614 NPC472244
Remote Similarity 0.6612 NPC288232
Remote Similarity 0.6606 NPC474974
Remote Similarity 0.6593 NPC315051
Remote Similarity 0.6587 NPC254698
Remote Similarity 0.6581 NPC164802
Remote Similarity 0.6579 NPC474430
Remote Similarity 0.6569 NPC469537
Remote Similarity 0.6549 NPC122106
Remote Similarity 0.6549 NPC285381
Remote Similarity 0.6549 NPC117032
Remote Similarity 0.6544 NPC22082
Remote Similarity 0.6544 NPC186284
Remote Similarity 0.6544 NPC471574
Remote Similarity 0.6544 NPC2823
Remote Similarity 0.6522 NPC275467
Remote Similarity 0.6508 NPC268534
Remote Similarity 0.6504 NPC192209
Remote Similarity 0.6493 NPC267508
Remote Similarity 0.6493 NPC471123
Remote Similarity 0.6479 NPC243756
Remote Similarity 0.6479 NPC154602
Remote Similarity 0.6471 NPC207554
Remote Similarity 0.6466 NPC313362
Remote Similarity 0.6465 NPC98976
Remote Similarity 0.6462 NPC150863
Remote Similarity 0.6454 NPC242000
Remote Similarity 0.6449 NPC297532
Remote Similarity 0.6449 NPC277157
Remote Similarity 0.6412 NPC280807
Remote Similarity 0.6412 NPC472245
Remote Similarity 0.6412 NPC314431
Remote Similarity 0.6406 NPC192533
Remote Similarity 0.6403 NPC136002
Remote Similarity 0.64 NPC271642
Remote Similarity 0.6392 NPC271732
Remote Similarity 0.6389 NPC281094
Remote Similarity 0.6364 NPC314098
Remote Similarity 0.6364 NPC66775
Remote Similarity 0.6356 NPC55529
Remote Similarity 0.6356 NPC172170
Remote Similarity 0.6324 NPC122553
Remote Similarity 0.6312 NPC324445
Remote Similarity 0.6304 NPC470301
Remote Similarity 0.63 NPC301874
Remote Similarity 0.6288 NPC194562
Remote Similarity 0.6286 NPC104070
Remote Similarity 0.6286 NPC474088
Remote Similarity 0.6268 NPC478186
Remote Similarity 0.626 NPC476950
Remote Similarity 0.6218 NPC434
Remote Similarity 0.6218 NPC79618
Remote Similarity 0.6216 NPC293487
Remote Similarity 0.6212 NPC209389
Remote Similarity 0.6202 NPC328683
Remote Similarity 0.6202 NPC283130
Remote Similarity 0.62 NPC478182
Remote Similarity 0.6197 NPC470440
Remote Similarity 0.6194 NPC476687
Remote Similarity 0.6194 NPC476689
Remote Similarity 0.6194 NPC476685
Remote Similarity 0.6182 NPC92689
Remote Similarity 0.6181 NPC473329
Remote Similarity 0.6179 NPC314141
Remote Similarity 0.6167 NPC302790
Remote Similarity 0.6159 NPC65408
Remote Similarity 0.6154 NPC475289
Remote Similarity 0.6154 NPC212799
Remote Similarity 0.6154 NPC475573
Remote Similarity 0.6147 NPC111233
Remote Similarity 0.6147 NPC30445
Remote Similarity 0.6121 NPC11466
Remote Similarity 0.6117 NPC12857
Remote Similarity 0.6111 NPC109787
Remote Similarity 0.6103 NPC184437
Remote Similarity 0.6103 NPC253476
Remote Similarity 0.6102 NPC328877
Remote Similarity 0.6102 NPC38262
Remote Similarity 0.6091 NPC176858
Remote Similarity 0.6081 NPC469536
Remote Similarity 0.6081 NPC84317
Remote Similarity 0.6078 NPC475248
Remote Similarity 0.6078 NPC63047
Remote Similarity 0.6069 NPC144691
Remote Similarity 0.6067 NPC320064
Remote Similarity 0.6063 NPC220698
Remote Similarity 0.6058 NPC173295
Remote Similarity 0.6055 NPC262295
Remote Similarity 0.6054 NPC471132
Remote Similarity 0.605 NPC473418
Remote Similarity 0.605 NPC143516
Remote Similarity 0.6047 NPC475915
Remote Similarity 0.604 NPC104345
Remote Similarity 0.6036 NPC191444
Remote Similarity 0.6036 NPC476160
Remote Similarity 0.6027 NPC66936
Remote Similarity 0.6026 NPC478185
Remote Similarity 0.6026 NPC469529
Remote Similarity 0.6026 NPC472117
Remote Similarity 0.6018 NPC71140
Remote Similarity 0.6018 NPC476483
Remote Similarity 0.6016 NPC275410
Remote Similarity 0.6013 NPC478183
Remote Similarity 0.6 NPC130898
Remote Similarity 0.6 NPC474973
Remote Similarity 0.6 NPC154478
Remote Similarity 0.6 NPC472243
Remote Similarity 0.6 NPC242933
Remote Similarity 0.6 NPC471447
Remote Similarity 0.6 NPC474804
Remote Similarity 0.6 NPC246904
Remote Similarity 0.5987 NPC478184
Remote Similarity 0.5986 NPC478040
Remote Similarity 0.5985 NPC79698
Remote Similarity 0.5982 NPC470926
Remote Similarity 0.596 NPC68650
Remote Similarity 0.5957 NPC43477
Remote Similarity 0.5948 NPC471130
Remote Similarity 0.5946 NPC173991
Remote Similarity 0.5946 NPC295021
Remote Similarity 0.594 NPC252794
Remote Similarity 0.5935 NPC91895
Remote Similarity 0.5935 NPC65080
Remote Similarity 0.5935 NPC32534
Remote Similarity 0.5929 NPC108800
Remote Similarity 0.5926 NPC226662
Remote Similarity 0.5926 NPC9856
Remote Similarity 0.5926 NPC169016
Remote Similarity 0.5921 NPC88970
Remote Similarity 0.5909 NPC214960
Remote Similarity 0.5909 NPC114637
Remote Similarity 0.5909 NPC279527
Remote Similarity 0.5906 NPC313673
Remote Similarity 0.5902 NPC231655
Remote Similarity 0.5902 NPC473676
Remote Similarity 0.5897 NPC213774
Remote Similarity 0.5896 NPC145754
Remote Similarity 0.5894 NPC301163
Remote Similarity 0.5887 NPC27802
Remote Similarity 0.5878 NPC472260
Remote Similarity 0.5873 NPC33742
Remote Similarity 0.5868 NPC473498
Remote Similarity 0.5865 NPC474926
Remote Similarity 0.5862 NPC478039
Remote Similarity 0.5859 NPC148140
Remote Similarity 0.5857 NPC287358
Remote Similarity 0.5855 NPC315368
Remote Similarity 0.5849 NPC14849
Remote Similarity 0.5839 NPC40364

Drug Structure

External Identifiers

TTD   DCL000932
DrugBank   DB04951
ChEMBL   CHEMBL1256391
IUPHAR/BPS   7532
PharmaGKB  
KEGG Drug  
PubChem CID   40632
ChEBI   32016
CAS Number  53179-13-8

Drug Properties

Molecular Weight  185.08
ALogP  0.1195
MLogP  2.56
XLogP  2.753
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  20.31
RO5 Violation  0