Drug Information

Drug ID:  NPD1693
Drug Name:  Loxoprofen
Molecular Formula:  C15H18O3
Canonical SMILES:  OC(=O)C(c1ccc(cc1)CC1CCCC1=O)C
Standard InCHI:  InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
Standard InCHIKey:  YMBXTVYHTMGZDW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD1693

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 0.9545 NPC86670
High Similarity 0.9545 NPC274455
High Similarity 0.9545 NPC70940
High Similarity 0.9205 NPC322387
High Similarity 0.8788 NPC37914
High Similarity 0.875 NPC285773
High Similarity 0.8681 NPC329064
High Similarity 0.8632 NPC261947
High Similarity 0.8556 NPC95965
High Similarity 0.8539 NPC44830
Intermediate Similarity 0.8409 NPC127343
Intermediate Similarity 0.8384 NPC304873
Intermediate Similarity 0.8384 NPC25458
Intermediate Similarity 0.8333 NPC249811
Intermediate Similarity 0.8333 NPC288903
Intermediate Similarity 0.83 NPC329556
Intermediate Similarity 0.8283 NPC225079
Intermediate Similarity 0.8235 NPC83409
Intermediate Similarity 0.8235 NPC244933
Intermediate Similarity 0.8235 NPC85560
Intermediate Similarity 0.8235 NPC185763
Intermediate Similarity 0.8218 NPC329282
Intermediate Similarity 0.8211 NPC110704
Intermediate Similarity 0.8182 NPC103488
Intermediate Similarity 0.8182 NPC217621
Intermediate Similarity 0.8152 NPC294134
Intermediate Similarity 0.8144 NPC172925
Intermediate Similarity 0.8105 NPC84288
Intermediate Similarity 0.81 NPC128248
Intermediate Similarity 0.81 NPC264728
Intermediate Similarity 0.81 NPC133809
Intermediate Similarity 0.81 NPC136810
Intermediate Similarity 0.8058 NPC94751
Intermediate Similarity 0.8058 NPC142326
Intermediate Similarity 0.8037 NPC471721
Intermediate Similarity 0.8021 NPC317645
Intermediate Similarity 0.8021 NPC86987
Intermediate Similarity 0.8 NPC285716
Intermediate Similarity 0.8 NPC17408
Intermediate Similarity 0.7981 NPC112903
Intermediate Similarity 0.798 NPC253423
Intermediate Similarity 0.798 NPC477767
Intermediate Similarity 0.7963 NPC476357
Intermediate Similarity 0.7961 NPC321670
Intermediate Similarity 0.7961 NPC105899
Intermediate Similarity 0.7961 NPC471186
Intermediate Similarity 0.7941 NPC247976
Intermediate Similarity 0.7935 NPC270507
Intermediate Similarity 0.7925 NPC95126
Intermediate Similarity 0.7925 NPC475002
Intermediate Similarity 0.7921 NPC473325
Intermediate Similarity 0.79 NPC229242
Intermediate Similarity 0.79 NPC120393
Intermediate Similarity 0.7879 NPC469893
Intermediate Similarity 0.785 NPC66208
Intermediate Similarity 0.7849 NPC267704
Intermediate Similarity 0.7843 NPC475978
Intermediate Similarity 0.7843 NPC474820
Intermediate Similarity 0.7826 NPC103387
Intermediate Similarity 0.7826 NPC323103
Intermediate Similarity 0.7822 NPC7435
Intermediate Similarity 0.7812 NPC9822
Intermediate Similarity 0.78 NPC469890
Intermediate Similarity 0.78 NPC469892
Intermediate Similarity 0.78 NPC226041
Intermediate Similarity 0.78 NPC469891
Intermediate Similarity 0.7798 NPC186933
Intermediate Similarity 0.7788 NPC172483
Intermediate Similarity 0.7778 NPC93287
Intermediate Similarity 0.7768 NPC472708
Intermediate Similarity 0.7767 NPC274443
Intermediate Similarity 0.7757 NPC474057
Intermediate Similarity 0.7745 NPC94487
Intermediate Similarity 0.7745 NPC469481
Intermediate Similarity 0.7727 NPC9274
Intermediate Similarity 0.7723 NPC210529
Intermediate Similarity 0.7723 NPC271475
Intermediate Similarity 0.7723 NPC175852
Intermediate Similarity 0.7723 NPC160548
Intermediate Similarity 0.7714 NPC100767
Intermediate Similarity 0.7708 NPC477704
Intermediate Similarity 0.7708 NPC477693
Intermediate Similarity 0.77 NPC61944
Intermediate Similarity 0.7692 NPC19136
Intermediate Similarity 0.7685 NPC292834
Intermediate Similarity 0.7684 NPC474211
Intermediate Similarity 0.767 NPC244427
Intermediate Similarity 0.767 NPC222390
Intermediate Similarity 0.767 NPC320891
Intermediate Similarity 0.7653 NPC141607
Intermediate Similarity 0.7653 NPC187725
Intermediate Similarity 0.7647 NPC476042
Intermediate Similarity 0.7647 NPC221825
Intermediate Similarity 0.764 NPC189371
Intermediate Similarity 0.7636 NPC221275
Intermediate Similarity 0.7636 NPC274839
Intermediate Similarity 0.7614 NPC285679
Intermediate Similarity 0.7609 NPC157055
Intermediate Similarity 0.7609 NPC121800
Intermediate Similarity 0.7596 NPC255676
Intermediate Similarity 0.7596 NPC160382
Intermediate Similarity 0.7582 NPC224544
Intermediate Similarity 0.7579 NPC474354
Intermediate Similarity 0.7573 NPC52472
Intermediate Similarity 0.757 NPC318327
Intermediate Similarity 0.7551 NPC62765
Intermediate Similarity 0.7549 NPC329387
Intermediate Similarity 0.7549 NPC317280
Intermediate Similarity 0.7527 NPC145053
Intermediate Similarity 0.7524 NPC472222
Intermediate Similarity 0.7524 NPC472221
Intermediate Similarity 0.7523 NPC471189
Intermediate Similarity 0.7523 NPC471188
Intermediate Similarity 0.75 NPC34243
Intermediate Similarity 0.75 NPC170484
Intermediate Similarity 0.75 NPC284477
Intermediate Similarity 0.75 NPC155429
Intermediate Similarity 0.75 NPC243166
Intermediate Similarity 0.75 NPC74458
Intermediate Similarity 0.75 NPC212891
Intermediate Similarity 0.7477 NPC228737
Intermediate Similarity 0.7477 NPC93181
Intermediate Similarity 0.7476 NPC245561
Intermediate Similarity 0.7476 NPC280869
Intermediate Similarity 0.7475 NPC133461
Intermediate Similarity 0.7474 NPC168855
Intermediate Similarity 0.7455 NPC306977
Intermediate Similarity 0.7455 NPC206414
Intermediate Similarity 0.7455 NPC143768
Intermediate Similarity 0.7455 NPC242957
Intermediate Similarity 0.7455 NPC287055
Intermediate Similarity 0.7453 NPC13495
Intermediate Similarity 0.7451 NPC289201
Intermediate Similarity 0.7451 NPC156021
Intermediate Similarity 0.7449 NPC231591
Intermediate Similarity 0.7449 NPC1793
Intermediate Similarity 0.7447 NPC230068
Intermediate Similarity 0.7436 NPC472704
Intermediate Similarity 0.7434 NPC160199
Intermediate Similarity 0.7434 NPC45794
Intermediate Similarity 0.7431 NPC265513
Intermediate Similarity 0.7429 NPC13426
Intermediate Similarity 0.7426 NPC206764
Intermediate Similarity 0.7423 NPC69057
Intermediate Similarity 0.7419 NPC190567
Intermediate Similarity 0.7419 NPC477703
Intermediate Similarity 0.7414 NPC167323
Intermediate Similarity 0.7414 NPC269923
Intermediate Similarity 0.7404 NPC282895
Intermediate Similarity 0.74 NPC323164
Intermediate Similarity 0.74 NPC153885
Intermediate Similarity 0.7387 NPC294458
Intermediate Similarity 0.7387 NPC109241
Intermediate Similarity 0.7379 NPC145052
Intermediate Similarity 0.7379 NPC260000
Intermediate Similarity 0.7368 NPC477770
Intermediate Similarity 0.7368 NPC328694
Intermediate Similarity 0.7364 NPC280789
Intermediate Similarity 0.735 NPC472703
Intermediate Similarity 0.7345 NPC471924
Intermediate Similarity 0.7345 NPC158157
Intermediate Similarity 0.7345 NPC471928
Intermediate Similarity 0.7345 NPC471925
Intermediate Similarity 0.734 NPC133050
Intermediate Similarity 0.7333 NPC474112
Intermediate Similarity 0.7327 NPC238219
Intermediate Similarity 0.7321 NPC217111
Intermediate Similarity 0.732 NPC318107
Intermediate Similarity 0.732 NPC160339
Intermediate Similarity 0.732 NPC93843
Intermediate Similarity 0.732 NPC307
Intermediate Similarity 0.7315 NPC156648
Intermediate Similarity 0.7312 NPC272260
Intermediate Similarity 0.7312 NPC300205
Intermediate Similarity 0.7308 NPC146351
Intermediate Similarity 0.7308 NPC54647
Intermediate Similarity 0.7308 NPC203925
Intermediate Similarity 0.7308 NPC228435
Intermediate Similarity 0.7308 NPC325497
Intermediate Similarity 0.7304 NPC202015
Intermediate Similarity 0.7304 NPC204784
Intermediate Similarity 0.7297 NPC477475
Intermediate Similarity 0.7297 NPC128368
Intermediate Similarity 0.7297 NPC17693
Intermediate Similarity 0.7297 NPC477476
Intermediate Similarity 0.7297 NPC470253
Intermediate Similarity 0.729 NPC134120
Intermediate Similarity 0.729 NPC474307
Intermediate Similarity 0.7288 NPC328107
Intermediate Similarity 0.7288 NPC318067
Intermediate Similarity 0.7288 NPC85511
Intermediate Similarity 0.7283 NPC298023
Intermediate Similarity 0.7283 NPC9796
Intermediate Similarity 0.7282 NPC270654
Intermediate Similarity 0.7281 NPC471926
Intermediate Similarity 0.7273 NPC298115
Intermediate Similarity 0.7273 NPC220893
Intermediate Similarity 0.7265 NPC25168
Intermediate Similarity 0.7264 NPC474365
Intermediate Similarity 0.7264 NPC301943

Drug Structure

External Identifiers

TTD   DIB006702
DrugBank   DB09212
ChEMBL   CHEMBL19299
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D08149
PubChem CID  
ChEBI   76172
CAS Number  68767-14-6

Drug Properties

Molecular Weight  246.13
ALogP  -0.0299
MLogP  2.78
XLogP  3.431
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  54.37
RO5 Violation  0