Drug Information

Drug ID:  NPD5466
Drug Name:  Xenazoic Acid
Molecular Formula:  C23H21NO4
Canonical SMILES:  CCOC(C(=O)c1ccc(cc1)c1ccccc1)Nc1ccc(cc1)C(=O)O
Standard InCHI:  InChI=1S/C23H21NO4/c1-2-28-22(24-20-14-12-19(13-15-20)23(26)27)21(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22,24H,2H2,1H3,(H,26,27)
Standard InCHIKey:  BPOMPTVRBWXZBY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5466

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 0.7778 NPC472241
Intermediate Similarity 0.7744 NPC472242
Intermediate Similarity 0.7707 NPC314098
Intermediate Similarity 0.7654 NPC242933
Intermediate Similarity 0.76 NPC470971
Intermediate Similarity 0.7546 NPC472243
Intermediate Similarity 0.75 NPC43477
Intermediate Similarity 0.7473 NPC470317
Intermediate Similarity 0.7378 NPC319645
Intermediate Similarity 0.7346 NPC253476
Intermediate Similarity 0.7326 NPC313293
Intermediate Similarity 0.731 NPC314223
Intermediate Similarity 0.7278 NPC472244
Intermediate Similarity 0.7278 NPC470343
Intermediate Similarity 0.7212 NPC287358
Intermediate Similarity 0.7179 NPC150323
Intermediate Similarity 0.7091 NPC173295
Intermediate Similarity 0.7076 NPC478039
Intermediate Similarity 0.7063 NPC205946
Intermediate Similarity 0.7062 NPC36495
Intermediate Similarity 0.7059 NPC314186
Intermediate Similarity 0.7059 NPC471742
Intermediate Similarity 0.7056 NPC472115
Intermediate Similarity 0.7056 NPC472114
Intermediate Similarity 0.7021 NPC49184
Intermediate Similarity 0.7011 NPC471743
Intermediate Similarity 0.7 NPC316405
Remote Similarity 0.6994 NPC472245
Remote Similarity 0.6983 NPC293458
Remote Similarity 0.6983 NPC199737
Remote Similarity 0.6968 NPC97584
Remote Similarity 0.6954 NPC144691
Remote Similarity 0.6944 NPC313757
Remote Similarity 0.694 NPC318183
Remote Similarity 0.694 NPC292265
Remote Similarity 0.6911 NPC477998
Remote Similarity 0.691 NPC61013
Remote Similarity 0.691 NPC123241
Remote Similarity 0.6899 NPC226143
Remote Similarity 0.6897 NPC300596
Remote Similarity 0.6897 NPC237649
Remote Similarity 0.6894 NPC192533
Remote Similarity 0.6885 NPC472118
Remote Similarity 0.6882 NPC186669
Remote Similarity 0.6878 NPC298449
Remote Similarity 0.6875 NPC5630
Remote Similarity 0.6875 NPC474059
Remote Similarity 0.6872 NPC193410
Remote Similarity 0.6868 NPC182131
Remote Similarity 0.6851 NPC189116
Remote Similarity 0.6845 NPC99043
Remote Similarity 0.6845 NPC218594
Remote Similarity 0.6839 NPC203628
Remote Similarity 0.6833 NPC248117
Remote Similarity 0.6833 NPC474058
Remote Similarity 0.6831 NPC224970
Remote Similarity 0.6831 NPC223595
Remote Similarity 0.6831 NPC167724
Remote Similarity 0.6829 NPC150863
Remote Similarity 0.6821 NPC198205
Remote Similarity 0.6821 NPC21483
Remote Similarity 0.681 NPC322433
Remote Similarity 0.6809 NPC475685
Remote Similarity 0.6806 NPC160381
Remote Similarity 0.6802 NPC112752
Remote Similarity 0.6802 NPC311054
Remote Similarity 0.6796 NPC253667
Remote Similarity 0.6796 NPC35510
Remote Similarity 0.6793 NPC471778
Remote Similarity 0.6788 NPC314431
Remote Similarity 0.6788 NPC280807
Remote Similarity 0.6788 NPC194562
Remote Similarity 0.6786 NPC303214
Remote Similarity 0.6784 NPC232600
Remote Similarity 0.6782 NPC222561
Remote Similarity 0.6771 NPC473815
Remote Similarity 0.6768 NPC107828
Remote Similarity 0.6768 NPC90358
Remote Similarity 0.6758 NPC204867
Remote Similarity 0.6757 NPC474814
Remote Similarity 0.6757 NPC126676
Remote Similarity 0.6757 NPC469671
Remote Similarity 0.6757 NPC112336
Remote Similarity 0.6755 NPC475094
Remote Similarity 0.6754 NPC52262
Remote Similarity 0.6751 NPC198390
Remote Similarity 0.6738 NPC129624
Remote Similarity 0.6707 NPC314278
Remote Similarity 0.6703 NPC282339
Remote Similarity 0.6703 NPC472121
Remote Similarity 0.6703 NPC99632
Remote Similarity 0.6701 NPC83111
Remote Similarity 0.67 NPC136573
Remote Similarity 0.67 NPC176371
Remote Similarity 0.6683 NPC25961
Remote Similarity 0.6667 NPC6974
Remote Similarity 0.6667 NPC475223
Remote Similarity 0.6651 NPC312645
Remote Similarity 0.6649 NPC203202
Remote Similarity 0.6649 NPC264482
Remote Similarity 0.6648 NPC2672
Remote Similarity 0.6648 NPC27904
Remote Similarity 0.6634 NPC475448
Remote Similarity 0.6634 NPC246983
Remote Similarity 0.6634 NPC165599
Remote Similarity 0.6631 NPC285622
Remote Similarity 0.663 NPC153694
Remote Similarity 0.663 NPC211525
Remote Similarity 0.6627 NPC122235
Remote Similarity 0.6625 NPC229353
Remote Similarity 0.6618 NPC478075
Remote Similarity 0.6618 NPC308943
Remote Similarity 0.6617 NPC471944
Remote Similarity 0.6614 NPC14849
Remote Similarity 0.6613 NPC469915
Remote Similarity 0.6598 NPC14994
Remote Similarity 0.6597 NPC288305
Remote Similarity 0.6596 NPC248862
Remote Similarity 0.6596 NPC469726
Remote Similarity 0.6596 NPC329338
Remote Similarity 0.6596 NPC328611
Remote Similarity 0.6595 NPC214960
Remote Similarity 0.6595 NPC279527
Remote Similarity 0.6587 NPC471741
Remote Similarity 0.6585 NPC39679
Remote Similarity 0.6585 NPC285394
Remote Similarity 0.6585 NPC285192
Remote Similarity 0.6583 NPC141454
Remote Similarity 0.6583 NPC90967
Remote Similarity 0.6579 NPC182057
Remote Similarity 0.6579 NPC131450
Remote Similarity 0.6579 NPC147298
Remote Similarity 0.6579 NPC474815
Remote Similarity 0.6575 NPC36836
Remote Similarity 0.6575 NPC63370
Remote Similarity 0.657 NPC82370
Remote Similarity 0.6564 NPC284706
Remote Similarity 0.6562 NPC159963
Remote Similarity 0.6559 NPC473484
Remote Similarity 0.6557 NPC315368
Remote Similarity 0.6553 NPC472070
Remote Similarity 0.6552 NPC207971
Remote Similarity 0.655 NPC138615
Remote Similarity 0.655 NPC218733
Remote Similarity 0.655 NPC265642
Remote Similarity 0.655 NPC132874
Remote Similarity 0.6543 NPC177261
Remote Similarity 0.6543 NPC130931
Remote Similarity 0.6543 NPC191310
Remote Similarity 0.6541 NPC52059
Remote Similarity 0.6541 NPC470069
Remote Similarity 0.6537 NPC244741
Remote Similarity 0.6532 NPC315051
Remote Similarity 0.6531 NPC473298
Remote Similarity 0.6529 NPC474473
Remote Similarity 0.6528 NPC207851
Remote Similarity 0.6522 NPC85651
Remote Similarity 0.6522 NPC176983
Remote Similarity 0.6522 NPC476231
Remote Similarity 0.652 NPC268077
Remote Similarity 0.652 NPC87714
Remote Similarity 0.652 NPC314648
Remote Similarity 0.6517 NPC242000
Remote Similarity 0.6514 NPC478040
Remote Similarity 0.6514 NPC308197
Remote Similarity 0.6513 NPC181928
Remote Similarity 0.6508 NPC470548
Remote Similarity 0.6507 NPC317752
Remote Similarity 0.6507 NPC89508
Remote Similarity 0.6505 NPC278887
Remote Similarity 0.6503 NPC263709
Remote Similarity 0.6503 NPC310403
Remote Similarity 0.6503 NPC97380
Remote Similarity 0.6503 NPC63210
Remote Similarity 0.6503 NPC243673
Remote Similarity 0.6503 NPC148468
Remote Similarity 0.6497 NPC22476
Remote Similarity 0.6497 NPC246412
Remote Similarity 0.6495 NPC322621
Remote Similarity 0.6493 NPC471197
Remote Similarity 0.6492 NPC474041
Remote Similarity 0.649 NPC87413
Remote Similarity 0.6488 NPC225400
Remote Similarity 0.6485 NPC226794
Remote Similarity 0.6476 NPC55470
Remote Similarity 0.6476 NPC477979
Remote Similarity 0.6474 NPC84347
Remote Similarity 0.6474 NPC475607
Remote Similarity 0.6471 NPC313663
Remote Similarity 0.6467 NPC225319
Remote Similarity 0.6467 NPC307437
Remote Similarity 0.6467 NPC72473
Remote Similarity 0.6467 NPC58827
Remote Similarity 0.6465 NPC229893
Remote Similarity 0.6463 NPC268534
Remote Similarity 0.6462 NPC471198
Remote Similarity 0.6461 NPC315829
Remote Similarity 0.6459 NPC318299
Remote Similarity 0.6457 NPC301702
Remote Similarity 0.6456 NPC470786

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  375.15
ALogP  -0.5878
MLogP  3.44
XLogP  7.489
HDA  5
HBD  2
Rotatable Bonds  10
TPSA  75.63
RO5 Violation  1