Drug Information

Drug ID:  NPD32
Drug Name:  Quinidine Sulfate
Molecular Formula:  2C20H24N2O2.H2O4S.2H2O
Canonical SMILES:  OS(=O)(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.O.O
Standard InCHI:  InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1
Standard InCHIKey:  ZHNFLHYOFXQIOW-AHSOWCEXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD32

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 1.0 NPC329708
High Similarity 1.0 NPC47059
High Similarity 1.0 NPC118832
High Similarity 1.0 NPC264166
High Similarity 1.0 NPC274291
High Similarity 1.0 NPC165349
High Similarity 0.8808 NPC472111
High Similarity 0.8674 NPC203754
High Similarity 0.8674 NPC150048
Intermediate Similarity 0.82 NPC193238
Intermediate Similarity 0.8154 NPC251090
Intermediate Similarity 0.8144 NPC307963
Intermediate Similarity 0.8119 NPC469589
Intermediate Similarity 0.8081 NPC249040
Intermediate Similarity 0.805 NPC475774
Intermediate Similarity 0.8041 NPC92111
Intermediate Similarity 0.803 NPC4071
Intermediate Similarity 0.803 NPC476582
Intermediate Similarity 0.803 NPC476578
Intermediate Similarity 0.8009 NPC295228
Intermediate Similarity 0.8 NPC202605
Intermediate Similarity 0.8 NPC112206
Intermediate Similarity 0.799 NPC76748
Intermediate Similarity 0.797 NPC475841
Intermediate Similarity 0.797 NPC474145
Intermediate Similarity 0.7938 NPC296527
Intermediate Similarity 0.7921 NPC476581
Intermediate Similarity 0.7921 NPC36229
Intermediate Similarity 0.7921 NPC16452
Intermediate Similarity 0.7906 NPC219963
Intermediate Similarity 0.79 NPC329793
Intermediate Similarity 0.7895 NPC469594
Intermediate Similarity 0.7892 NPC477111
Intermediate Similarity 0.7874 NPC471080
Intermediate Similarity 0.7874 NPC469592
Intermediate Similarity 0.783 NPC280272
Intermediate Similarity 0.7826 NPC26679
Intermediate Similarity 0.7819 NPC252590
Intermediate Similarity 0.7817 NPC195268
Intermediate Similarity 0.7817 NPC133140
Intermediate Similarity 0.7816 NPC5145
Intermediate Similarity 0.7811 NPC315957
Intermediate Similarity 0.7811 NPC176538
Intermediate Similarity 0.7805 NPC82548
Intermediate Similarity 0.7799 NPC470799
Intermediate Similarity 0.7799 NPC477110
Intermediate Similarity 0.7799 NPC8022
Intermediate Similarity 0.7789 NPC473053
Intermediate Similarity 0.7788 NPC469554
Intermediate Similarity 0.7788 NPC266931
Intermediate Similarity 0.7784 NPC177404
Intermediate Similarity 0.7778 NPC289786
Intermediate Similarity 0.7778 NPC226202
Intermediate Similarity 0.7772 NPC31930
Intermediate Similarity 0.7766 NPC473764
Intermediate Similarity 0.7766 NPC314940
Intermediate Similarity 0.7762 NPC476041
Intermediate Similarity 0.7762 NPC304926
Intermediate Similarity 0.7761 NPC287437
Intermediate Similarity 0.7756 NPC313189
Intermediate Similarity 0.775 NPC224928
Intermediate Similarity 0.775 NPC267928
Intermediate Similarity 0.7744 NPC171171
Intermediate Similarity 0.774 NPC472098
Intermediate Similarity 0.772 NPC161887
Intermediate Similarity 0.772 NPC266551
Intermediate Similarity 0.7718 NPC475910
Intermediate Similarity 0.7707 NPC477113
Intermediate Similarity 0.7706 NPC101543
Intermediate Similarity 0.7704 NPC66083
Intermediate Similarity 0.7692 NPC314002
Intermediate Similarity 0.7692 NPC208284
Intermediate Similarity 0.7689 NPC213530
Intermediate Similarity 0.7689 NPC193267
Intermediate Similarity 0.7688 NPC124542
Intermediate Similarity 0.7688 NPC471177
Intermediate Similarity 0.7688 NPC59779
Intermediate Similarity 0.7681 NPC185782
Intermediate Similarity 0.7671 NPC255800
Intermediate Similarity 0.7671 NPC96584
Intermediate Similarity 0.7661 NPC201508
Intermediate Similarity 0.7659 NPC470500
Intermediate Similarity 0.7659 NPC475070
Intermediate Similarity 0.7656 NPC296482
Intermediate Similarity 0.7656 NPC202768
Intermediate Similarity 0.7656 NPC53069
Intermediate Similarity 0.7653 NPC472099
Intermediate Similarity 0.765 NPC26872
Intermediate Similarity 0.7647 NPC118511
Intermediate Similarity 0.7644 NPC290689
Intermediate Similarity 0.7644 NPC312872
Intermediate Similarity 0.7642 NPC173080
Intermediate Similarity 0.7641 NPC204717
Intermediate Similarity 0.7638 NPC99666
Intermediate Similarity 0.7635 NPC234197
Intermediate Similarity 0.7623 NPC81175
Intermediate Similarity 0.7622 NPC26850
Intermediate Similarity 0.7621 NPC323345
Intermediate Similarity 0.7621 NPC470164
Intermediate Similarity 0.761 NPC245816
Intermediate Similarity 0.761 NPC476138
Intermediate Similarity 0.7606 NPC471178
Intermediate Similarity 0.759 NPC220765
Intermediate Similarity 0.7585 NPC135549
Intermediate Similarity 0.7581 NPC122463
Intermediate Similarity 0.7573 NPC285558
Intermediate Similarity 0.7571 NPC316981
Intermediate Similarity 0.757 NPC174049
Intermediate Similarity 0.7569 NPC314954
Intermediate Similarity 0.7565 NPC326575
Intermediate Similarity 0.7565 NPC283152
Intermediate Similarity 0.7551 NPC62069
Intermediate Similarity 0.7549 NPC477019
Intermediate Similarity 0.7549 NPC19872
Intermediate Similarity 0.7548 NPC287208
Intermediate Similarity 0.7545 NPC475720
Intermediate Similarity 0.7545 NPC474192
Intermediate Similarity 0.7539 NPC121658
Intermediate Similarity 0.7539 NPC14651
Intermediate Similarity 0.7538 NPC3715
Intermediate Similarity 0.7536 NPC478074
Intermediate Similarity 0.7535 NPC310118
Intermediate Similarity 0.7524 NPC223427
Intermediate Similarity 0.7523 NPC110151
Intermediate Similarity 0.7513 NPC472122
Intermediate Similarity 0.7513 NPC24594
Intermediate Similarity 0.7513 NPC42591
Intermediate Similarity 0.7512 NPC279401
Intermediate Similarity 0.7512 NPC79293
Intermediate Similarity 0.75 NPC176127
Intermediate Similarity 0.7488 NPC96405
Intermediate Similarity 0.7488 NPC132642
Intermediate Similarity 0.7488 NPC171409
Intermediate Similarity 0.7487 NPC187827
Intermediate Similarity 0.7487 NPC476518
Intermediate Similarity 0.7487 NPC472105
Intermediate Similarity 0.7477 NPC473822
Intermediate Similarity 0.7476 NPC123976
Intermediate Similarity 0.7476 NPC471304
Intermediate Similarity 0.7476 NPC211813
Intermediate Similarity 0.7476 NPC167860
Intermediate Similarity 0.7465 NPC288349
Intermediate Similarity 0.7464 NPC476465
Intermediate Similarity 0.7449 NPC470474
Intermediate Similarity 0.7445 NPC472434
Intermediate Similarity 0.7443 NPC6215
Intermediate Similarity 0.7436 NPC133261
Intermediate Similarity 0.7426 NPC329541
Intermediate Similarity 0.7424 NPC62510
Intermediate Similarity 0.7416 NPC53344
Intermediate Similarity 0.7413 NPC469390
Intermediate Similarity 0.7406 NPC264176
Intermediate Similarity 0.7404 NPC164374
Intermediate Similarity 0.7404 NPC137929
Intermediate Similarity 0.7402 NPC77555
Intermediate Similarity 0.74 NPC32771
Intermediate Similarity 0.7397 NPC103687
Intermediate Similarity 0.7397 NPC132631
Intermediate Similarity 0.7395 NPC204446
Intermediate Similarity 0.7394 NPC84508
Intermediate Similarity 0.7393 NPC11464
Intermediate Similarity 0.7393 NPC470020
Intermediate Similarity 0.7391 NPC470678
Intermediate Similarity 0.7389 NPC99891
Intermediate Similarity 0.7385 NPC184964
Intermediate Similarity 0.7371 NPC149471
Intermediate Similarity 0.7371 NPC162530
Intermediate Similarity 0.7371 NPC271215
Intermediate Similarity 0.7349 NPC473513
Intermediate Similarity 0.7346 NPC174672
Intermediate Similarity 0.7346 NPC476116
Intermediate Similarity 0.7346 NPC174758
Intermediate Similarity 0.7345 NPC475816
Intermediate Similarity 0.7343 NPC232727
Intermediate Similarity 0.7339 NPC216612
Intermediate Similarity 0.7337 NPC20249
Intermediate Similarity 0.7333 NPC288943
Intermediate Similarity 0.7333 NPC134586
Intermediate Similarity 0.733 NPC476167
Intermediate Similarity 0.7324 NPC251160
Intermediate Similarity 0.7323 NPC472110
Intermediate Similarity 0.7323 NPC472109
Intermediate Similarity 0.732 NPC111624
Intermediate Similarity 0.7318 NPC214980
Intermediate Similarity 0.7317 NPC156704
Intermediate Similarity 0.7311 NPC188420
Intermediate Similarity 0.731 NPC222592
Intermediate Similarity 0.731 NPC168486
Intermediate Similarity 0.73 NPC204385
Intermediate Similarity 0.7296 NPC211997
Intermediate Similarity 0.7295 NPC329747
Intermediate Similarity 0.7295 NPC315491
Intermediate Similarity 0.7295 NPC45459
Intermediate Similarity 0.729 NPC476287
Intermediate Similarity 0.7289 NPC477549
Intermediate Similarity 0.7286 NPC284559
Intermediate Similarity 0.7284 NPC137353
Intermediate Similarity 0.7282 NPC192315
Intermediate Similarity 0.7282 NPC239954
Intermediate Similarity 0.7277 NPC473105

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  324.18
ALogP  -0.5136
MLogP  3.22
XLogP  2.662
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  45.59
RO5 Violation  0