Drug Information

Drug ID:  NPD4475
Drug Name:  Dapoxetine
Molecular Formula:  C21H23NO
Canonical SMILES:  CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C
Standard InCHI:  InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1
Standard InCHIKey:  USRHYDPUVLEVMC-FQEVSTJZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4475

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 0.8286 NPC470925
Intermediate Similarity 0.8085 NPC314682
Intermediate Similarity 0.8071 NPC318591
Intermediate Similarity 0.8071 NPC231163
Intermediate Similarity 0.8069 NPC16107
Intermediate Similarity 0.8069 NPC210437
Intermediate Similarity 0.8069 NPC90844
Intermediate Similarity 0.8069 NPC476151
Intermediate Similarity 0.8069 NPC144863
Intermediate Similarity 0.8069 NPC95075
Intermediate Similarity 0.8069 NPC253883
Intermediate Similarity 0.8069 NPC476144
Intermediate Similarity 0.8069 NPC106295
Intermediate Similarity 0.8069 NPC51957
Intermediate Similarity 0.8054 NPC123323
Intermediate Similarity 0.8028 NPC474915
Intermediate Similarity 0.8028 NPC328750
Intermediate Similarity 0.8028 NPC213206
Intermediate Similarity 0.8028 NPC188163
Intermediate Similarity 0.8014 NPC7467
Intermediate Similarity 0.7973 NPC326316
Intermediate Similarity 0.7973 NPC81733
Intermediate Similarity 0.7959 NPC103379
Intermediate Similarity 0.7959 NPC219162
Intermediate Similarity 0.7959 NPC92541
Intermediate Similarity 0.7959 NPC477565
Intermediate Similarity 0.7914 NPC325568
Intermediate Similarity 0.7895 NPC221864
Intermediate Similarity 0.7881 NPC25084
Intermediate Similarity 0.7881 NPC29647
Intermediate Similarity 0.7881 NPC247639
Intermediate Similarity 0.7843 NPC205255
Intermediate Similarity 0.7843 NPC235143
Intermediate Similarity 0.7843 NPC271388
Intermediate Similarity 0.7843 NPC119649
Intermediate Similarity 0.7843 NPC230956
Intermediate Similarity 0.7829 NPC79328
Intermediate Similarity 0.7815 NPC244112
Intermediate Similarity 0.781 NPC172403
Intermediate Similarity 0.7808 NPC185838
Intermediate Similarity 0.78 NPC26601
Intermediate Similarity 0.7793 NPC476567
Intermediate Similarity 0.7793 NPC128019
Intermediate Similarity 0.7793 NPC136860
Intermediate Similarity 0.7792 NPC79402
Intermediate Similarity 0.7792 NPC80759
Intermediate Similarity 0.7778 NPC217277
Intermediate Similarity 0.7778 NPC7393
Intermediate Similarity 0.777 NPC130941
Intermediate Similarity 0.7744 NPC321133
Intermediate Similarity 0.7714 NPC118419
Intermediate Similarity 0.7712 NPC476572
Intermediate Similarity 0.7704 NPC471314
Intermediate Similarity 0.7704 NPC471315
Intermediate Similarity 0.7703 NPC191376
Intermediate Similarity 0.7703 NPC179825
Intermediate Similarity 0.7703 NPC321505
Intermediate Similarity 0.7698 NPC160193
Intermediate Similarity 0.7697 NPC172765
Intermediate Similarity 0.7697 NPC76079
Intermediate Similarity 0.7697 NPC207757
Intermediate Similarity 0.7697 NPC54379
Intermediate Similarity 0.7697 NPC110416
Intermediate Similarity 0.7697 NPC276588
Intermediate Similarity 0.7697 NPC2413
Intermediate Similarity 0.7697 NPC99659
Intermediate Similarity 0.7697 NPC5238
Intermediate Similarity 0.7697 NPC127674
Intermediate Similarity 0.7697 NPC249797
Intermediate Similarity 0.7697 NPC325871
Intermediate Similarity 0.7697 NPC39701
Intermediate Similarity 0.7697 NPC295691
Intermediate Similarity 0.7697 NPC216459
Intermediate Similarity 0.7697 NPC41178
Intermediate Similarity 0.7697 NPC189266
Intermediate Similarity 0.7697 NPC138487
Intermediate Similarity 0.7697 NPC193949
Intermediate Similarity 0.7697 NPC469817
Intermediate Similarity 0.7697 NPC204828
Intermediate Similarity 0.7697 NPC278799
Intermediate Similarity 0.7697 NPC184026
Intermediate Similarity 0.7687 NPC145304
Intermediate Similarity 0.7687 NPC130926
Intermediate Similarity 0.7673 NPC227060
Intermediate Similarity 0.7673 NPC276890
Intermediate Similarity 0.7673 NPC317145
Intermediate Similarity 0.7673 NPC63646
Intermediate Similarity 0.7673 NPC76682
Intermediate Similarity 0.7673 NPC115284
Intermediate Similarity 0.7673 NPC317439
Intermediate Similarity 0.7673 NPC10908
Intermediate Similarity 0.7673 NPC198498
Intermediate Similarity 0.7652 NPC25648
Intermediate Similarity 0.7651 NPC246587
Intermediate Similarity 0.7651 NPC24233
Intermediate Similarity 0.7651 NPC147390
Intermediate Similarity 0.7651 NPC428
Intermediate Similarity 0.7651 NPC475959
Intermediate Similarity 0.7651 NPC135538
Intermediate Similarity 0.7651 NPC476571
Intermediate Similarity 0.7647 NPC146288
Intermediate Similarity 0.7647 NPC126519
Intermediate Similarity 0.7647 NPC203784
Intermediate Similarity 0.7647 NPC170503
Intermediate Similarity 0.7647 NPC328267
Intermediate Similarity 0.7647 NPC255253
Intermediate Similarity 0.7643 NPC195392
Intermediate Similarity 0.7632 NPC477564
Intermediate Similarity 0.7632 NPC2295
Intermediate Similarity 0.7628 NPC475393
Intermediate Similarity 0.7625 NPC129518
Intermediate Similarity 0.7625 NPC251580
Intermediate Similarity 0.7625 NPC41376
Intermediate Similarity 0.7625 NPC12424
Intermediate Similarity 0.7615 NPC26524
Intermediate Similarity 0.7613 NPC27410
Intermediate Similarity 0.7613 NPC232924
Intermediate Similarity 0.7613 NPC306902
Intermediate Similarity 0.7613 NPC166014
Intermediate Similarity 0.7613 NPC160298
Intermediate Similarity 0.7613 NPC477559
Intermediate Similarity 0.7613 NPC266753
Intermediate Similarity 0.7582 NPC93593
Intermediate Similarity 0.758 NPC209377
Intermediate Similarity 0.7564 NPC60186
Intermediate Similarity 0.7556 NPC212559
Intermediate Similarity 0.7552 NPC11147
Intermediate Similarity 0.7547 NPC204908
Intermediate Similarity 0.7547 NPC83198
Intermediate Similarity 0.7532 NPC180756
Intermediate Similarity 0.7532 NPC223077
Intermediate Similarity 0.7532 NPC250846
Intermediate Similarity 0.7532 NPC234392
Intermediate Similarity 0.7532 NPC42549
Intermediate Similarity 0.7532 NPC268503
Intermediate Similarity 0.7532 NPC317272
Intermediate Similarity 0.7532 NPC256012
Intermediate Similarity 0.7532 NPC31311
Intermediate Similarity 0.7532 NPC56887
Intermediate Similarity 0.7532 NPC240841
Intermediate Similarity 0.7532 NPC323443
Intermediate Similarity 0.7532 NPC193853
Intermediate Similarity 0.7531 NPC293093
Intermediate Similarity 0.7517 NPC473934
Intermediate Similarity 0.7516 NPC1229
Intermediate Similarity 0.7516 NPC233650
Intermediate Similarity 0.7484 NPC129603
Intermediate Similarity 0.7483 NPC211296
Intermediate Similarity 0.7483 NPC60538
Intermediate Similarity 0.7483 NPC207824
Intermediate Similarity 0.7481 NPC289330
Intermediate Similarity 0.7481 NPC471308
Intermediate Similarity 0.7481 NPC263835
Intermediate Similarity 0.7481 NPC53596
Intermediate Similarity 0.7481 NPC160120
Intermediate Similarity 0.7481 NPC17388
Intermediate Similarity 0.748 NPC326801
Intermediate Similarity 0.7468 NPC134858
Intermediate Similarity 0.7468 NPC225774
Intermediate Similarity 0.7468 NPC169743
Intermediate Similarity 0.7462 NPC21890
Intermediate Similarity 0.746 NPC241224
Intermediate Similarity 0.7448 NPC193528
Intermediate Similarity 0.7448 NPC253429
Intermediate Similarity 0.7439 NPC475479
Intermediate Similarity 0.7439 NPC243454
Intermediate Similarity 0.7434 NPC97221
Intermediate Similarity 0.7434 NPC220858
Intermediate Similarity 0.7434 NPC88249
Intermediate Similarity 0.7434 NPC151895
Intermediate Similarity 0.7434 NPC192768
Intermediate Similarity 0.7434 NPC274026
Intermediate Similarity 0.7421 NPC219341
Intermediate Similarity 0.7421 NPC476432
Intermediate Similarity 0.7421 NPC24264
Intermediate Similarity 0.7419 NPC186063
Intermediate Similarity 0.7407 NPC190783
Intermediate Similarity 0.7407 NPC232386
Intermediate Similarity 0.7407 NPC152680
Intermediate Similarity 0.7405 NPC324144
Intermediate Similarity 0.7394 NPC239584
Intermediate Similarity 0.7386 NPC76213
Intermediate Similarity 0.7386 NPC277669
Intermediate Similarity 0.7386 NPC476568
Intermediate Similarity 0.7383 NPC247298
Intermediate Similarity 0.7375 NPC298979
Intermediate Similarity 0.7375 NPC81218
Intermediate Similarity 0.7375 NPC158376
Intermediate Similarity 0.7375 NPC474931
Intermediate Similarity 0.7375 NPC145832
Intermediate Similarity 0.7375 NPC12053
Intermediate Similarity 0.7375 NPC117188
Intermediate Similarity 0.7375 NPC205421
Intermediate Similarity 0.7375 NPC150879
Intermediate Similarity 0.7375 NPC306555
Intermediate Similarity 0.7375 NPC210140
Intermediate Similarity 0.7375 NPC247389
Intermediate Similarity 0.7372 NPC40389
Intermediate Similarity 0.7372 NPC65490
Intermediate Similarity 0.7372 NPC148014

Drug Structure

External Identifiers

TTD   DNCL003529
DrugBank   DB04884
ChEMBL   CHEMBL2110900
IUPHAR/BPS   7901
PharmaGKB  
KEGG Drug   D03649
PubChem CID   71353
ChEBI   135962
CAS Number  119356-77-3

Drug Properties

Molecular Weight  305.18
ALogP  -0.2631
MLogP  3.55
XLogP  7.384
HDA  1
HBD  0
Rotatable Bonds  8
TPSA  12.47
RO5 Violation  1