Drug Information

Drug ID:  NPD1911
Drug Name:  Dexlansoprazole
Molecular Formula:  C16H14F3N3O2S
Canonical SMILES:  O=[S@@](c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F
Standard InCHI:  InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1
Standard InCHIKey:  MJIHNNLFOKEZEW-RUZDIDTESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1911

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 0.8527 NPC316756
Intermediate Similarity 0.7227 NPC469308
Intermediate Similarity 0.7212 NPC471603
Intermediate Similarity 0.7182 NPC19872
Intermediate Similarity 0.7179 NPC187145
Intermediate Similarity 0.7149 NPC232727
Intermediate Similarity 0.7107 NPC39092
Intermediate Similarity 0.7027 NPC176538
Remote Similarity 0.6974 NPC167860
Remote Similarity 0.6974 NPC123976
Remote Similarity 0.6877 NPC150447
Remote Similarity 0.6875 NPC121772
Remote Similarity 0.6858 NPC476138
Remote Similarity 0.6858 NPC245816
Remote Similarity 0.6844 NPC30540
Remote Similarity 0.684 NPC26679
Remote Similarity 0.6816 NPC267928
Remote Similarity 0.681 NPC476287
Remote Similarity 0.6809 NPC193267
Remote Similarity 0.6809 NPC213530
Remote Similarity 0.6783 NPC185782
Remote Similarity 0.6758 NPC206251
Remote Similarity 0.6758 NPC74382
Remote Similarity 0.6754 NPC285558
Remote Similarity 0.6751 NPC310118
Remote Similarity 0.6708 NPC153467
Remote Similarity 0.6697 NPC284678
Remote Similarity 0.6682 NPC84853
Remote Similarity 0.6681 NPC60621
Remote Similarity 0.668 NPC110151
Remote Similarity 0.6667 NPC476465
Remote Similarity 0.6652 NPC224327
Remote Similarity 0.6652 NPC315957
Remote Similarity 0.6652 NPC242923
Remote Similarity 0.6626 NPC115595
Remote Similarity 0.6625 NPC122436
Remote Similarity 0.6622 NPC134079
Remote Similarity 0.662 NPC476518
Remote Similarity 0.661 NPC8022
Remote Similarity 0.661 NPC470799
Remote Similarity 0.6609 NPC113369
Remote Similarity 0.6598 NPC160666
Remote Similarity 0.6589 NPC41982
Remote Similarity 0.6589 NPC121658
Remote Similarity 0.6589 NPC14651
Remote Similarity 0.6584 NPC314954
Remote Similarity 0.6577 NPC296527
Remote Similarity 0.6571 NPC469554
Remote Similarity 0.6562 NPC324149
Remote Similarity 0.656 NPC168486
Remote Similarity 0.656 NPC222592
Remote Similarity 0.6558 NPC314557
Remote Similarity 0.6549 NPC13880
Remote Similarity 0.6547 NPC76748
Remote Similarity 0.654 NPC470203
Remote Similarity 0.6537 NPC470500
Remote Similarity 0.6535 NPC187558
Remote Similarity 0.6533 NPC307963
Remote Similarity 0.653 NPC161887
Remote Similarity 0.6528 NPC317054
Remote Similarity 0.6524 NPC287208
Remote Similarity 0.6518 NPC92111
Remote Similarity 0.6504 NPC101543
Remote Similarity 0.6502 NPC472289
Remote Similarity 0.6498 NPC315715
Remote Similarity 0.6496 NPC174672
Remote Similarity 0.6496 NPC174758
Remote Similarity 0.6494 NPC171393
Remote Similarity 0.6494 NPC295452
Remote Similarity 0.6493 NPC470204
Remote Similarity 0.6488 NPC130570
Remote Similarity 0.6481 NPC111624
Remote Similarity 0.6476 NPC251090
Remote Similarity 0.6463 NPC260434
Remote Similarity 0.6458 NPC308906
Remote Similarity 0.6456 NPC114209
Remote Similarity 0.6455 NPC219963
Remote Similarity 0.6445 NPC300238
Remote Similarity 0.6445 NPC56271
Remote Similarity 0.6441 NPC208284
Remote Similarity 0.6425 NPC282531
Remote Similarity 0.6402 NPC288349
Remote Similarity 0.6402 NPC170114
Remote Similarity 0.64 NPC235685
Remote Similarity 0.6398 NPC5145
Remote Similarity 0.6391 NPC18487
Remote Similarity 0.639 NPC292958
Remote Similarity 0.6385 NPC177404
Remote Similarity 0.6383 NPC82548
Remote Similarity 0.638 NPC118776
Remote Similarity 0.638 NPC266551
Remote Similarity 0.6375 NPC101350
Remote Similarity 0.636 NPC470549
Remote Similarity 0.636 NPC50511
Remote Similarity 0.6352 NPC223427
Remote Similarity 0.6351 NPC48938
Remote Similarity 0.6341 NPC42483
Remote Similarity 0.6338 NPC122141
Remote Similarity 0.6333 NPC274982
Remote Similarity 0.6325 NPC475070
Remote Similarity 0.6323 NPC84478
Remote Similarity 0.6322 NPC250178
Remote Similarity 0.6322 NPC168209
Remote Similarity 0.632 NPC476167
Remote Similarity 0.6316 NPC315822
Remote Similarity 0.6314 NPC116555
Remote Similarity 0.6301 NPC60006
Remote Similarity 0.6298 NPC201380
Remote Similarity 0.6298 NPC179787
Remote Similarity 0.6295 NPC20249
Remote Similarity 0.6295 NPC295228
Remote Similarity 0.6285 NPC471614
Remote Similarity 0.6277 NPC192315
Remote Similarity 0.6275 NPC477795
Remote Similarity 0.6275 NPC477806
Remote Similarity 0.6275 NPC477805
Remote Similarity 0.6275 NPC477796
Remote Similarity 0.6273 NPC224764
Remote Similarity 0.6268 NPC321911
Remote Similarity 0.6261 NPC242209
Remote Similarity 0.626 NPC245348
Remote Similarity 0.625 NPC63545
Remote Similarity 0.625 NPC266931
Remote Similarity 0.6245 NPC243633
Remote Similarity 0.6245 NPC175150
Remote Similarity 0.6231 NPC478013
Remote Similarity 0.6223 NPC329747
Remote Similarity 0.622 NPC469811
Remote Similarity 0.6216 NPC42979
Remote Similarity 0.6215 NPC180504
Remote Similarity 0.6211 NPC110741
Remote Similarity 0.6209 NPC216713
Remote Similarity 0.6207 NPC72211
Remote Similarity 0.6207 NPC216159
Remote Similarity 0.6205 NPC176127
Remote Similarity 0.6204 NPC17305
Remote Similarity 0.6202 NPC472068
Remote Similarity 0.6198 NPC258048
Remote Similarity 0.6198 NPC63109
Remote Similarity 0.6192 NPC11464
Remote Similarity 0.6192 NPC123839
Remote Similarity 0.6186 NPC285635
Remote Similarity 0.6185 NPC471762
Remote Similarity 0.6185 NPC66777
Remote Similarity 0.6183 NPC469592
Remote Similarity 0.6183 NPC282247
Remote Similarity 0.6183 NPC471080
Remote Similarity 0.6179 NPC325903
Remote Similarity 0.6178 NPC91868
Remote Similarity 0.6178 NPC63971
Remote Similarity 0.6176 NPC475910
Remote Similarity 0.6174 NPC226202
Remote Similarity 0.6174 NPC74619
Remote Similarity 0.6174 NPC198673
Remote Similarity 0.6168 NPC26850
Remote Similarity 0.6168 NPC236711
Remote Similarity 0.6164 NPC164664
Remote Similarity 0.6163 NPC323969
Remote Similarity 0.6161 NPC307191
Remote Similarity 0.6154 NPC472067
Remote Similarity 0.6154 NPC472031
Remote Similarity 0.6154 NPC472066
Remote Similarity 0.6141 NPC316981
Remote Similarity 0.6137 NPC168911
Remote Similarity 0.6133 NPC163055
Remote Similarity 0.6132 NPC152768
Remote Similarity 0.6132 NPC470823
Remote Similarity 0.6132 NPC148183
Remote Similarity 0.6129 NPC125597
Remote Similarity 0.6126 NPC182222
Remote Similarity 0.6124 NPC470504
Remote Similarity 0.6121 NPC70259
Remote Similarity 0.6119 NPC314056
Remote Similarity 0.6115 NPC477633
Remote Similarity 0.6113 NPC470501
Remote Similarity 0.6111 NPC25899
Remote Similarity 0.6109 NPC266249
Remote Similarity 0.6103 NPC26872
Remote Similarity 0.6099 NPC248454
Remote Similarity 0.6099 NPC96890
Remote Similarity 0.6096 NPC46580
Remote Similarity 0.6092 NPC26543
Remote Similarity 0.6091 NPC91895
Remote Similarity 0.6085 NPC329793
Remote Similarity 0.6083 NPC225018
Remote Similarity 0.6082 NPC469594
Remote Similarity 0.6081 NPC478012
Remote Similarity 0.6081 NPC478011
Remote Similarity 0.608 NPC157931
Remote Similarity 0.608 NPC107160
Remote Similarity 0.608 NPC257851
Remote Similarity 0.6079 NPC314002
Remote Similarity 0.6078 NPC205934
Remote Similarity 0.6078 NPC280638
Remote Similarity 0.6078 NPC43787
Remote Similarity 0.6076 NPC162484
Remote Similarity 0.6076 NPC475774
Remote Similarity 0.6075 NPC477815
Remote Similarity 0.6074 NPC118940
Remote Similarity 0.6073 NPC473317

Drug Structure

External Identifiers

TTD   DAP001443
DrugBank  
ChEMBL  
IUPHAR/BPS   5487
PharmaGKB  
KEGG Drug  
PubChem CID   9578005
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  369.08
ALogP  0.6676
MLogP  2.23
XLogP  2.743
HDA  4
HBD  1
Rotatable Bonds  10
TPSA  87.08
RO5 Violation  0