Drug Information

Drug ID:  NPD1753
Drug Name:  Naxagolide
Molecular Formula:  C15H21NO2
Canonical SMILES:  CCCN1CCO[C@H]2[C@H]1CCc1c2cc(cc1)O
Standard InCHI:  InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
Standard InCHIKey:  JCSREICEMHWFAY-HUUCEWRRSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1753

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 0.8043 NPC66177
Intermediate Similarity 0.8043 NPC8305
Intermediate Similarity 0.8043 NPC268763
Intermediate Similarity 0.8027 NPC185838
Intermediate Similarity 0.8015 NPC307020
Intermediate Similarity 0.7929 NPC126859
Intermediate Similarity 0.7929 NPC259665
Intermediate Similarity 0.7929 NPC89769
Intermediate Similarity 0.7919 NPC179825
Intermediate Similarity 0.7919 NPC191376
Intermediate Similarity 0.7919 NPC321505
Intermediate Similarity 0.7919 NPC476151
Intermediate Similarity 0.7867 NPC246587
Intermediate Similarity 0.7867 NPC476571
Intermediate Similarity 0.7867 NPC24233
Intermediate Similarity 0.7867 NPC135538
Intermediate Similarity 0.7867 NPC147390
Intermediate Similarity 0.7867 NPC428
Intermediate Similarity 0.7857 NPC124802
Intermediate Similarity 0.7848 NPC124657
Intermediate Similarity 0.7815 NPC477565
Intermediate Similarity 0.7815 NPC103379
Intermediate Similarity 0.7762 NPC325568
Intermediate Similarity 0.7755 NPC470925
Intermediate Similarity 0.7722 NPC1229
Intermediate Similarity 0.7707 NPC27410
Intermediate Similarity 0.7707 NPC166014
Intermediate Similarity 0.7697 NPC207824
Intermediate Similarity 0.7697 NPC60538
Intermediate Similarity 0.7687 NPC314682
Intermediate Similarity 0.7677 NPC172765
Intermediate Similarity 0.7677 NPC5238
Intermediate Similarity 0.7677 NPC276588
Intermediate Similarity 0.7677 NPC184026
Intermediate Similarity 0.7677 NPC189266
Intermediate Similarity 0.7677 NPC110416
Intermediate Similarity 0.7677 NPC2413
Intermediate Similarity 0.7677 NPC39701
Intermediate Similarity 0.7677 NPC54379
Intermediate Similarity 0.7677 NPC295691
Intermediate Similarity 0.7677 NPC127674
Intermediate Similarity 0.7677 NPC204828
Intermediate Similarity 0.7677 NPC193949
Intermediate Similarity 0.7677 NPC249797
Intermediate Similarity 0.7677 NPC278799
Intermediate Similarity 0.7677 NPC207757
Intermediate Similarity 0.7677 NPC469817
Intermediate Similarity 0.7662 NPC133011
Intermediate Similarity 0.7662 NPC82285
Intermediate Similarity 0.7647 NPC220858
Intermediate Similarity 0.7647 NPC274026
Intermediate Similarity 0.7647 NPC88249
Intermediate Similarity 0.7647 NPC97221
Intermediate Similarity 0.7647 NPC151895
Intermediate Similarity 0.7647 NPC192768
Intermediate Similarity 0.7643 NPC59028
Intermediate Similarity 0.7643 NPC92191
Intermediate Similarity 0.7635 NPC328750
Intermediate Similarity 0.7635 NPC213206
Intermediate Similarity 0.7635 NPC188163
Intermediate Similarity 0.7635 NPC474915
Intermediate Similarity 0.763 NPC137096
Intermediate Similarity 0.7628 NPC147091
Intermediate Similarity 0.7628 NPC323443
Intermediate Similarity 0.7628 NPC180756
Intermediate Similarity 0.761 NPC218614
Intermediate Similarity 0.7605 NPC156576
Intermediate Similarity 0.7603 NPC131204
Intermediate Similarity 0.7603 NPC301050
Intermediate Similarity 0.7597 NPC76213
Intermediate Similarity 0.7597 NPC277669
Intermediate Similarity 0.7578 NPC205421
Intermediate Similarity 0.7578 NPC158376
Intermediate Similarity 0.7578 NPC474931
Intermediate Similarity 0.7578 NPC306555
Intermediate Similarity 0.7578 NPC117188
Intermediate Similarity 0.7578 NPC12053
Intermediate Similarity 0.7578 NPC145832
Intermediate Similarity 0.7578 NPC252960
Intermediate Similarity 0.7578 NPC81218
Intermediate Similarity 0.7569 NPC149379
Intermediate Similarity 0.7562 NPC134858
Intermediate Similarity 0.7562 NPC3375
Intermediate Similarity 0.7562 NPC255607
Intermediate Similarity 0.7547 NPC79402
Intermediate Similarity 0.7547 NPC80759
Intermediate Similarity 0.7545 NPC248642
Intermediate Similarity 0.7532 NPC221864
Intermediate Similarity 0.753 NPC99179
Intermediate Similarity 0.753 NPC126284
Intermediate Similarity 0.75 NPC211468
Intermediate Similarity 0.75 NPC2314
Intermediate Similarity 0.75 NPC233650
Intermediate Similarity 0.75 NPC324144
Intermediate Similarity 0.75 NPC477564
Intermediate Similarity 0.75 NPC219233
Intermediate Similarity 0.75 NPC2295
Intermediate Similarity 0.75 NPC170170
Intermediate Similarity 0.7484 NPC326316
Intermediate Similarity 0.7484 NPC119649
Intermediate Similarity 0.7484 NPC205255
Intermediate Similarity 0.7484 NPC81733
Intermediate Similarity 0.7484 NPC271388
Intermediate Similarity 0.7484 NPC230956
Intermediate Similarity 0.7484 NPC235143
Intermediate Similarity 0.7484 NPC226428
Intermediate Similarity 0.7483 NPC294249
Intermediate Similarity 0.7469 NPC298979
Intermediate Similarity 0.7469 NPC210140
Intermediate Similarity 0.7468 NPC79328
Intermediate Similarity 0.7464 NPC321133
Intermediate Similarity 0.7453 NPC78222
Intermediate Similarity 0.7453 NPC13504
Intermediate Similarity 0.7453 NPC96603
Intermediate Similarity 0.7453 NPC196447
Intermediate Similarity 0.7453 NPC306843
Intermediate Similarity 0.7453 NPC253043
Intermediate Similarity 0.7453 NPC136508
Intermediate Similarity 0.7453 NPC477563
Intermediate Similarity 0.7453 NPC212794
Intermediate Similarity 0.7451 NPC51957
Intermediate Similarity 0.7451 NPC106295
Intermediate Similarity 0.7451 NPC210437
Intermediate Similarity 0.7451 NPC476144
Intermediate Similarity 0.7451 NPC16107
Intermediate Similarity 0.745 NPC323123
Intermediate Similarity 0.7448 NPC302171
Intermediate Similarity 0.7448 NPC33338
Intermediate Similarity 0.7448 NPC300020
Intermediate Similarity 0.7434 NPC130926
Intermediate Similarity 0.7432 NPC193528
Intermediate Similarity 0.7431 NPC160193
Intermediate Similarity 0.7417 NPC136860
Intermediate Similarity 0.7417 NPC128019
Intermediate Similarity 0.7417 NPC476567
Intermediate Similarity 0.7407 NPC476573
Intermediate Similarity 0.7407 NPC35627
Intermediate Similarity 0.7407 NPC195392
Intermediate Similarity 0.7407 NPC81247
Intermediate Similarity 0.7405 NPC29647
Intermediate Similarity 0.7403 NPC7467
Intermediate Similarity 0.7381 NPC305847
Intermediate Similarity 0.7375 NPC4304
Intermediate Similarity 0.7375 NPC205167
Intermediate Similarity 0.7375 NPC249274
Intermediate Similarity 0.7362 NPC150879
Intermediate Similarity 0.7358 NPC476572
Intermediate Similarity 0.7349 NPC329969
Intermediate Similarity 0.7346 NPC232514
Intermediate Similarity 0.7346 NPC276944
Intermediate Similarity 0.7346 NPC238530
Intermediate Similarity 0.7343 NPC322366
Intermediate Similarity 0.7343 NPC236347
Intermediate Similarity 0.7343 NPC323775
Intermediate Similarity 0.7337 NPC302449
Intermediate Similarity 0.7333 NPC477640
Intermediate Similarity 0.7333 NPC225597
Intermediate Similarity 0.7333 NPC470739
Intermediate Similarity 0.7325 NPC26601
Intermediate Similarity 0.7321 NPC220961
Intermediate Similarity 0.7317 NPC83198
Intermediate Similarity 0.7317 NPC204908
Intermediate Similarity 0.7315 NPC318591
Intermediate Similarity 0.7315 NPC231163
Intermediate Similarity 0.7315 NPC253429
Intermediate Similarity 0.7312 NPC111485
Intermediate Similarity 0.7305 NPC241704
Intermediate Similarity 0.7301 NPC256012
Intermediate Similarity 0.7301 NPC250846
Intermediate Similarity 0.7301 NPC264850
Intermediate Similarity 0.7301 NPC268503
Intermediate Similarity 0.7301 NPC42549
Intermediate Similarity 0.7301 NPC13916
Intermediate Similarity 0.7301 NPC240841
Intermediate Similarity 0.7301 NPC317272
Intermediate Similarity 0.729 NPC475959
Intermediate Similarity 0.7289 NPC152680
Intermediate Similarity 0.7289 NPC190783
Intermediate Similarity 0.7289 NPC66341
Intermediate Similarity 0.7289 NPC477020
Intermediate Similarity 0.7289 NPC232386
Intermediate Similarity 0.7289 NPC192135
Intermediate Similarity 0.7273 NPC474475
Intermediate Similarity 0.7273 NPC168753
Intermediate Similarity 0.7273 NPC118274
Intermediate Similarity 0.7267 NPC97072
Intermediate Similarity 0.7267 NPC215829
Intermediate Similarity 0.7262 NPC320223
Intermediate Similarity 0.7262 NPC114364
Intermediate Similarity 0.7261 NPC85747
Intermediate Similarity 0.7261 NPC8337
Intermediate Similarity 0.725 NPC475326
Intermediate Similarity 0.7239 NPC24465
Intermediate Similarity 0.7239 NPC169743
Intermediate Similarity 0.7239 NPC209377
Intermediate Similarity 0.7233 NPC325871
Intermediate Similarity 0.7233 NPC99659
Intermediate Similarity 0.7229 NPC239775
Intermediate Similarity 0.7226 NPC277857
Intermediate Similarity 0.7226 NPC213

Drug Structure

External Identifiers

TTD   DIB009415
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  247.16
ALogP  -1.1295
MLogP  2.78
XLogP  2.025
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  32.7
RO5 Violation  0