Drug Information

Drug ID:  NPD7567
Drug Name:  Zafirlukast
Molecular Formula:  C31H33N3O6S
Canonical SMILES:  COc1cc(ccc1Cc1cn(c2c1cc(cc2)N=C(OC1CCCC1)O)C)C(=NS(=O)(=O)c1ccccc1C)O
Standard InCHI:  InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
Standard InCHIKey:  YEEZWCHGZNKEEK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD7567

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 0.7897 NPC475774
Intermediate Similarity 0.7679 NPC100079
Intermediate Similarity 0.7679 NPC23614
Intermediate Similarity 0.7658 NPC149471
Intermediate Similarity 0.7658 NPC271215
Intermediate Similarity 0.7644 NPC46451
Intermediate Similarity 0.7621 NPC118121
Intermediate Similarity 0.76 NPC204446
Intermediate Similarity 0.7545 NPC235076
Intermediate Similarity 0.7523 NPC188420
Intermediate Similarity 0.7489 NPC208284
Intermediate Similarity 0.7477 NPC307963
Intermediate Similarity 0.7455 NPC202768
Intermediate Similarity 0.7455 NPC53069
Intermediate Similarity 0.7455 NPC296482
Intermediate Similarity 0.7422 NPC266931
Intermediate Similarity 0.7407 NPC251090
Intermediate Similarity 0.7387 NPC313189
Intermediate Similarity 0.7383 NPC92111
Intermediate Similarity 0.7378 NPC202605
Intermediate Similarity 0.7378 NPC112206
Intermediate Similarity 0.7378 NPC251160
Intermediate Similarity 0.7378 NPC171409
Intermediate Similarity 0.7378 NPC96405
Intermediate Similarity 0.7376 NPC329708
Intermediate Similarity 0.7376 NPC165349
Intermediate Similarity 0.7376 NPC274291
Intermediate Similarity 0.7376 NPC47059
Intermediate Similarity 0.7376 NPC264166
Intermediate Similarity 0.7376 NPC118832
Intermediate Similarity 0.7352 NPC234197
Intermediate Similarity 0.7352 NPC477019
Intermediate Similarity 0.7336 NPC76748
Intermediate Similarity 0.7309 NPC135549
Intermediate Similarity 0.7304 NPC132642
Intermediate Similarity 0.7297 NPC36229
Intermediate Similarity 0.7297 NPC476581
Intermediate Similarity 0.7297 NPC16452
Intermediate Similarity 0.729 NPC296527
Intermediate Similarity 0.728 NPC11408
Intermediate Similarity 0.7273 NPC284141
Intermediate Similarity 0.7269 NPC478074
Intermediate Similarity 0.7265 NPC472111
Intermediate Similarity 0.7244 NPC469589
Intermediate Similarity 0.7227 NPC476582
Intermediate Similarity 0.7227 NPC476578
Intermediate Similarity 0.7227 NPC4071
Intermediate Similarity 0.722 NPC285558
Intermediate Similarity 0.722 NPC217554
Intermediate Similarity 0.7212 NPC11464
Intermediate Similarity 0.72 NPC82548
Intermediate Similarity 0.7198 NPC310118
Intermediate Similarity 0.7191 NPC110151
Intermediate Similarity 0.7189 NPC99666
Intermediate Similarity 0.7189 NPC133140
Intermediate Similarity 0.7189 NPC195268
Intermediate Similarity 0.7162 NPC31930
Intermediate Similarity 0.7155 NPC174049
Intermediate Similarity 0.7137 NPC290689
Intermediate Similarity 0.713 NPC170114
Intermediate Similarity 0.7119 NPC473185
Intermediate Similarity 0.7117 NPC176538
Intermediate Similarity 0.7116 NPC171171
Intermediate Similarity 0.7113 NPC96584
Intermediate Similarity 0.7113 NPC255800
Intermediate Similarity 0.7112 NPC213530
Intermediate Similarity 0.7112 NPC193267
Intermediate Similarity 0.7111 NPC474145
Intermediate Similarity 0.7111 NPC475841
Intermediate Similarity 0.7094 NPC122463
Intermediate Similarity 0.7093 NPC174672
Intermediate Similarity 0.7087 NPC470549
Intermediate Similarity 0.7076 NPC214980
Intermediate Similarity 0.7074 NPC94157
Intermediate Similarity 0.7072 NPC287437
Intermediate Similarity 0.707 NPC314002
Intermediate Similarity 0.7067 NPC475070
Intermediate Similarity 0.7061 NPC5145
Intermediate Similarity 0.7059 NPC77555
Intermediate Similarity 0.7054 NPC295228
Intermediate Similarity 0.7048 NPC470931
Intermediate Similarity 0.7032 NPC114335
Intermediate Similarity 0.7032 NPC141915
Intermediate Similarity 0.7032 NPC280964
Intermediate Similarity 0.7023 NPC204717
Intermediate Similarity 0.7022 NPC223427
Intermediate Similarity 0.7018 NPC174758
Intermediate Similarity 0.7014 NPC13880
Intermediate Similarity 0.7014 NPC194967
Intermediate Similarity 0.7009 NPC477533
Intermediate Similarity 0.7008 NPC99891
Intermediate Similarity 0.7004 NPC193777
Intermediate Similarity 0.7004 NPC202503
Intermediate Similarity 0.7 NPC316981
Intermediate Similarity 0.7 NPC473180
Remote Similarity 0.6987 NPC470020
Remote Similarity 0.6987 NPC167860
Remote Similarity 0.6987 NPC123976
Remote Similarity 0.6982 NPC156704
Remote Similarity 0.6982 NPC70956
Remote Similarity 0.6982 NPC243834
Remote Similarity 0.6977 NPC220765
Remote Similarity 0.6971 NPC470889
Remote Similarity 0.696 NPC470164
Remote Similarity 0.696 NPC323345
Remote Similarity 0.696 NPC476106
Remote Similarity 0.6959 NPC204385
Remote Similarity 0.6958 NPC477531
Remote Similarity 0.6958 NPC201508
Remote Similarity 0.6947 NPC245816
Remote Similarity 0.6947 NPC476138
Remote Similarity 0.6946 NPC252251
Remote Similarity 0.6941 NPC469497
Remote Similarity 0.6941 NPC106833
Remote Similarity 0.6933 NPC232727
Remote Similarity 0.693 NPC206201
Remote Similarity 0.6929 NPC469554
Remote Similarity 0.6926 NPC472098
Remote Similarity 0.692 NPC128823
Remote Similarity 0.6917 NPC209174
Remote Similarity 0.6907 NPC477532
Remote Similarity 0.6906 NPC224928
Remote Similarity 0.6906 NPC267928
Remote Similarity 0.6903 NPC211813
Remote Similarity 0.69 NPC476465
Remote Similarity 0.6898 NPC176127
Remote Similarity 0.6897 NPC469592
Remote Similarity 0.6897 NPC471080
Remote Similarity 0.6895 NPC128751
Remote Similarity 0.6894 NPC473179
Remote Similarity 0.6889 NPC315957
Remote Similarity 0.6889 NPC121772
Remote Similarity 0.6885 NPC473183
Remote Similarity 0.6875 NPC477607
Remote Similarity 0.6875 NPC476997
Remote Similarity 0.6872 NPC473184
Remote Similarity 0.687 NPC210296
Remote Similarity 0.6862 NPC227908
Remote Similarity 0.6856 NPC193238
Remote Similarity 0.6855 NPC470504
Remote Similarity 0.6855 NPC208522
Remote Similarity 0.6854 NPC312872
Remote Similarity 0.6853 NPC26679
Remote Similarity 0.6853 NPC48353
Remote Similarity 0.6851 NPC469594
Remote Similarity 0.6851 NPC173080
Remote Similarity 0.6851 NPC477609
Remote Similarity 0.6851 NPC473822
Remote Similarity 0.6846 NPC476998
Remote Similarity 0.6846 NPC476996
Remote Similarity 0.6842 NPC137929
Remote Similarity 0.6842 NPC164374
Remote Similarity 0.6842 NPC470500
Remote Similarity 0.6838 NPC470799
Remote Similarity 0.6838 NPC8022
Remote Similarity 0.6838 NPC274982
Remote Similarity 0.6838 NPC478080
Remote Similarity 0.6838 NPC288349
Remote Similarity 0.6831 NPC22481
Remote Similarity 0.6828 NPC475112
Remote Similarity 0.6828 NPC470678
Remote Similarity 0.6828 NPC291535
Remote Similarity 0.6828 NPC475085
Remote Similarity 0.6826 NPC475910
Remote Similarity 0.6826 NPC287208
Remote Similarity 0.6818 NPC475253
Remote Similarity 0.6816 NPC285343
Remote Similarity 0.6814 NPC329793
Remote Similarity 0.6814 NPC11017
Remote Similarity 0.6812 NPC26850
Remote Similarity 0.681 NPC471178
Remote Similarity 0.6809 NPC476041
Remote Similarity 0.6809 NPC304926
Remote Similarity 0.6807 NPC280272
Remote Similarity 0.6806 NPC168486
Remote Similarity 0.6806 NPC222592
Remote Similarity 0.6805 NPC476994
Remote Similarity 0.6805 NPC314954
Remote Similarity 0.6803 NPC253675
Remote Similarity 0.6802 NPC477066
Remote Similarity 0.6802 NPC324149
Remote Similarity 0.6798 NPC200836
Remote Similarity 0.6794 NPC177404
Remote Similarity 0.6792 NPC24370
Remote Similarity 0.6792 NPC470018
Remote Similarity 0.6792 NPC319232
Remote Similarity 0.6791 NPC184964
Remote Similarity 0.6787 NPC472434
Remote Similarity 0.6786 NPC472193
Remote Similarity 0.6786 NPC183537
Remote Similarity 0.6778 NPC322482
Remote Similarity 0.6777 NPC278525
Remote Similarity 0.6776 NPC108342
Remote Similarity 0.6774 NPC473540
Remote Similarity 0.6774 NPC478081
Remote Similarity 0.6773 NPC46580
Remote Similarity 0.6771 NPC106937
Remote Similarity 0.6771 NPC329541
Remote Similarity 0.6767 NPC199667
Remote Similarity 0.6765 NPC60621

Drug Structure

External Identifiers

TTD   DAP000091
DrugBank   DB00549
ChEMBL   CHEMBL603
IUPHAR/BPS   3322
PharmaGKB   PA451949
KEGG Drug   D00411
PubChem CID   5717
ChEBI   10100
CAS Number  107753-78-6

Drug Properties

Molecular Weight  575.21
ALogP  -0.7243
MLogP  3.77
XLogP  6.999
HDA  8
HBD  2
Rotatable Bonds  14
TPSA  131.09
RO5 Violation  1