Drug Information

Drug ID:  NPD7020
Drug Name:  Darifenacin
Molecular Formula:  C28H30N2O2
Canonical SMILES:  OC(=N)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2
Standard InCHI:  InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
Standard InCHIKey:  HXGBXQDTNZMWGS-RUZDIDTESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD7020

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 0.773 NPC321133
Intermediate Similarity 0.7613 NPC247298
Intermediate Similarity 0.7546 NPC22014
Intermediate Similarity 0.7516 NPC245974
Intermediate Similarity 0.7485 NPC129603
Intermediate Similarity 0.7483 NPC263835
Intermediate Similarity 0.7468 NPC83289
Intermediate Similarity 0.7468 NPC189724
Intermediate Similarity 0.7468 NPC212850
Intermediate Similarity 0.7452 NPC145304
Intermediate Similarity 0.7448 NPC150026
Intermediate Similarity 0.7427 NPC283999
Intermediate Similarity 0.7425 NPC124657
Intermediate Similarity 0.7425 NPC90984
Intermediate Similarity 0.7423 NPC180756
Intermediate Similarity 0.7423 NPC323443
Intermediate Similarity 0.7413 NPC43275
Intermediate Similarity 0.7386 NPC231884
Intermediate Similarity 0.7386 NPC167944
Intermediate Similarity 0.7386 NPC283207
Intermediate Similarity 0.7386 NPC42793
Intermediate Similarity 0.7383 NPC283079
Intermediate Similarity 0.7378 NPC65490
Intermediate Similarity 0.7378 NPC148014
Intermediate Similarity 0.7378 NPC40389
Intermediate Similarity 0.7378 NPC315707
Intermediate Similarity 0.7378 NPC78359
Intermediate Similarity 0.7338 NPC193528
Intermediate Similarity 0.7329 NPC471315
Intermediate Similarity 0.7329 NPC471314
Intermediate Similarity 0.732 NPC11147
Intermediate Similarity 0.7308 NPC323204
Intermediate Similarity 0.7305 NPC233650
Intermediate Similarity 0.7305 NPC124433
Intermediate Similarity 0.7305 NPC293871
Intermediate Similarity 0.7303 NPC325568
Intermediate Similarity 0.7297 NPC81641
Intermediate Similarity 0.7289 NPC18402
Intermediate Similarity 0.7279 NPC255253
Intermediate Similarity 0.7273 NPC79328
Intermediate Similarity 0.7267 NPC219162
Intermediate Similarity 0.7267 NPC211296
Intermediate Similarity 0.7262 NPC134858
Intermediate Similarity 0.725 NPC476151
Intermediate Similarity 0.7246 NPC254700
Intermediate Similarity 0.7239 NPC26601
Intermediate Similarity 0.7237 NPC118419
Intermediate Similarity 0.7195 NPC51543
Intermediate Similarity 0.7186 NPC215829
Intermediate Similarity 0.7186 NPC97072
Intermediate Similarity 0.7181 NPC29477
Intermediate Similarity 0.7176 NPC150879
Intermediate Similarity 0.7176 NPC210140
Intermediate Similarity 0.7171 NPC196193
Intermediate Similarity 0.7162 NPC328267
Intermediate Similarity 0.7161 NPC125579
Intermediate Similarity 0.716 NPC103379
Intermediate Similarity 0.716 NPC477565
Intermediate Similarity 0.7152 NPC87363
Intermediate Similarity 0.7152 NPC244112
Intermediate Similarity 0.7143 NPC95075
Intermediate Similarity 0.7143 NPC90844
Intermediate Similarity 0.7143 NPC253883
Intermediate Similarity 0.7143 NPC99179
Intermediate Similarity 0.7143 NPC60186
Intermediate Similarity 0.7134 NPC114124
Intermediate Similarity 0.7134 NPC275027
Intermediate Similarity 0.7126 NPC221864
Intermediate Similarity 0.7125 NPC313414
Intermediate Similarity 0.7125 NPC185838
Intermediate Similarity 0.7124 NPC236014
Intermediate Similarity 0.7124 NPC17343
Intermediate Similarity 0.7124 NPC129106
Intermediate Similarity 0.7124 NPC300875
Intermediate Similarity 0.7124 NPC268917
Intermediate Similarity 0.7124 NPC164574
Intermediate Similarity 0.7124 NPC118114
Intermediate Similarity 0.7124 NPC129784
Intermediate Similarity 0.7124 NPC12875
Intermediate Similarity 0.7124 NPC206224
Intermediate Similarity 0.7124 NPC207892
Intermediate Similarity 0.7124 NPC196765
Intermediate Similarity 0.7124 NPC97870
Intermediate Similarity 0.7124 NPC307123
Intermediate Similarity 0.7124 NPC228369
Intermediate Similarity 0.7124 NPC150011
Intermediate Similarity 0.7124 NPC280653
Intermediate Similarity 0.7124 NPC247018
Intermediate Similarity 0.7124 NPC476166
Intermediate Similarity 0.7118 NPC195392
Intermediate Similarity 0.7117 NPC47672
Intermediate Similarity 0.7114 NPC95733
Intermediate Similarity 0.7114 NPC62101
Intermediate Similarity 0.7113 NPC141003
Intermediate Similarity 0.7113 NPC35344
Intermediate Similarity 0.7108 NPC29647
Intermediate Similarity 0.7108 NPC147091
Intermediate Similarity 0.7108 NPC186063
Intermediate Similarity 0.7101 NPC218614
Intermediate Similarity 0.7099 NPC130941
Intermediate Similarity 0.7095 NPC152946
Intermediate Similarity 0.7091 NPC477564
Intermediate Similarity 0.7091 NPC2295
Intermediate Similarity 0.7089 NPC470925
Intermediate Similarity 0.7086 NPC148693
Intermediate Similarity 0.7086 NPC172403
Intermediate Similarity 0.7086 NPC118633
Intermediate Similarity 0.7086 NPC294790
Intermediate Similarity 0.7083 NPC271388
Intermediate Similarity 0.7083 NPC230956
Intermediate Similarity 0.7083 NPC205255
Intermediate Similarity 0.7083 NPC166014
Intermediate Similarity 0.7083 NPC235143
Intermediate Similarity 0.7083 NPC27410
Intermediate Similarity 0.7083 NPC119649
Intermediate Similarity 0.7078 NPC13005
Intermediate Similarity 0.7076 NPC298979
Intermediate Similarity 0.7073 NPC326316
Intermediate Similarity 0.7073 NPC52475
Intermediate Similarity 0.7073 NPC81733
Intermediate Similarity 0.707 NPC474687
Intermediate Similarity 0.7067 NPC133407
Intermediate Similarity 0.7067 NPC28476
Intermediate Similarity 0.7062 NPC275132
Intermediate Similarity 0.7059 NPC470225
Intermediate Similarity 0.7059 NPC27187
Intermediate Similarity 0.7059 NPC209377
Intermediate Similarity 0.7059 NPC249425
Intermediate Similarity 0.7055 NPC256369
Intermediate Similarity 0.7055 NPC60538
Intermediate Similarity 0.7055 NPC207824
Intermediate Similarity 0.7048 NPC76079
Intermediate Similarity 0.7048 NPC78733
Intermediate Similarity 0.7047 NPC211218
Intermediate Similarity 0.7041 NPC79402
Intermediate Similarity 0.7041 NPC469479
Intermediate Similarity 0.7041 NPC80759
Intermediate Similarity 0.7039 NPC53986
Intermediate Similarity 0.7039 NPC38664
Intermediate Similarity 0.7037 NPC179825
Intermediate Similarity 0.7037 NPC321505
Intermediate Similarity 0.7037 NPC191376
Intermediate Similarity 0.703 NPC18614
Intermediate Similarity 0.7025 NPC314682
Intermediate Similarity 0.7024 NPC67080
Intermediate Similarity 0.7024 NPC477080
Intermediate Similarity 0.702 NPC218323
Intermediate Similarity 0.702 NPC301713
Intermediate Similarity 0.7018 NPC56887
Intermediate Similarity 0.7018 NPC193853
Intermediate Similarity 0.7018 NPC268503
Intermediate Similarity 0.7018 NPC256012
Intermediate Similarity 0.7018 NPC42549
Intermediate Similarity 0.7018 NPC250846
Intermediate Similarity 0.7018 NPC240841
Intermediate Similarity 0.7018 NPC476573
Intermediate Similarity 0.7018 NPC223077
Intermediate Similarity 0.7018 NPC317272
Intermediate Similarity 0.7018 NPC81247
Intermediate Similarity 0.7018 NPC35627
Intermediate Similarity 0.7013 NPC471953
Intermediate Similarity 0.7013 NPC181497
Intermediate Similarity 0.7013 NPC274732
Intermediate Similarity 0.7013 NPC271945
Intermediate Similarity 0.7007 NPC160120
Intermediate Similarity 0.7007 NPC471308
Intermediate Similarity 0.7007 NPC289330
Intermediate Similarity 0.7007 NPC17388
Intermediate Similarity 0.7007 NPC53596
Intermediate Similarity 0.7006 NPC247639
Intermediate Similarity 0.7006 NPC31311
Intermediate Similarity 0.7006 NPC170503
Intermediate Similarity 0.7006 NPC203784
Intermediate Similarity 0.7006 NPC25084
Intermediate Similarity 0.7006 NPC126519
Intermediate Similarity 0.7006 NPC305847
Intermediate Similarity 0.7006 NPC3049
Intermediate Similarity 0.7006 NPC231163
Intermediate Similarity 0.7006 NPC318591
Intermediate Similarity 0.7006 NPC234392
Intermediate Similarity 0.7 NPC320104
Intermediate Similarity 0.7 NPC475393
Intermediate Similarity 0.7 NPC1229
Remote Similarity 0.6994 NPC152212
Remote Similarity 0.6994 NPC7467
Remote Similarity 0.6994 NPC311991
Remote Similarity 0.6994 NPC135538
Remote Similarity 0.6994 NPC24233
Remote Similarity 0.6994 NPC476571
Remote Similarity 0.6994 NPC428
Remote Similarity 0.6994 NPC147390
Remote Similarity 0.6994 NPC246587
Remote Similarity 0.6993 NPC26524
Remote Similarity 0.6993 NPC93962
Remote Similarity 0.6988 NPC233926
Remote Similarity 0.6987 NPC296915
Remote Similarity 0.6987 NPC115335
Remote Similarity 0.6987 NPC198154
Remote Similarity 0.6987 NPC97834
Remote Similarity 0.6987 NPC237227

Drug Structure

External Identifiers

TTD   DAP001131
DrugBank   DB00496
ChEMBL   CHEMBL1346
IUPHAR/BPS   321
PharmaGKB   PA164774901
KEGG Drug   D01699
PubChem CID   444031
ChEBI   391960
CAS Number  133099-04-4

Drug Properties

Molecular Weight  426.23
ALogP  -0.6288
MLogP  4.1
XLogP  8.723
HDA  3
HBD  2
Rotatable Bonds  8
TPSA  56.55
RO5 Violation  1