Drug Information

Drug ID:  NPD857
Drug Name:  Mirogabalin
Molecular Formula:  C12H19NO2
Canonical SMILES:  CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O
Standard InCHI:  InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
Standard InCHIKey:  FTBQORVNHOIASH-CKYFFXLPSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD857

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 0.7024 NPC55527
Intermediate Similarity 0.7013 NPC302188
Remote Similarity 0.6962 NPC234767
Remote Similarity 0.6923 NPC174560
Remote Similarity 0.6923 NPC125312
Remote Similarity 0.6897 NPC169095
Remote Similarity 0.6829 NPC476614
Remote Similarity 0.6824 NPC3753
Remote Similarity 0.6824 NPC283908
Remote Similarity 0.6824 NPC103958
Remote Similarity 0.6824 NPC161923
Remote Similarity 0.6824 NPC183503
Remote Similarity 0.6824 NPC237591
Remote Similarity 0.6824 NPC301065
Remote Similarity 0.6818 NPC196827
Remote Similarity 0.6818 NPC158846
Remote Similarity 0.6818 NPC274996
Remote Similarity 0.6818 NPC477371
Remote Similarity 0.6786 NPC160817
Remote Similarity 0.6782 NPC137547
Remote Similarity 0.6744 NPC192540
Remote Similarity 0.6744 NPC201027
Remote Similarity 0.6744 NPC476795
Remote Similarity 0.6744 NPC279666
Remote Similarity 0.6744 NPC476844
Remote Similarity 0.6707 NPC476626
Remote Similarity 0.6706 NPC470237
Remote Similarity 0.6703 NPC65350
Remote Similarity 0.6703 NPC167103
Remote Similarity 0.67 NPC239768
Remote Similarity 0.67 NPC128698
Remote Similarity 0.6667 NPC309399
Remote Similarity 0.6667 NPC201912
Remote Similarity 0.6667 NPC69143
Remote Similarity 0.6667 NPC147066
Remote Similarity 0.6667 NPC477372
Remote Similarity 0.6667 NPC38350
Remote Similarity 0.663 NPC472865
Remote Similarity 0.663 NPC477289
Remote Similarity 0.663 NPC472864
Remote Similarity 0.663 NPC19849
Remote Similarity 0.6628 NPC241854
Remote Similarity 0.6628 NPC251970
Remote Similarity 0.6628 NPC476046
Remote Similarity 0.6628 NPC472966
Remote Similarity 0.6628 NPC206875
Remote Similarity 0.6593 NPC133391
Remote Similarity 0.6593 NPC260956
Remote Similarity 0.6593 NPC296367
Remote Similarity 0.6591 NPC97377
Remote Similarity 0.6591 NPC61952
Remote Similarity 0.6591 NPC471897
Remote Similarity 0.6591 NPC165711
Remote Similarity 0.6591 NPC107039
Remote Similarity 0.6591 NPC471899
Remote Similarity 0.6588 NPC29328
Remote Similarity 0.6552 NPC472327
Remote Similarity 0.6548 NPC67608
Remote Similarity 0.6522 NPC83569
Remote Similarity 0.6522 NPC215893
Remote Similarity 0.6522 NPC477373
Remote Similarity 0.6522 NPC310470
Remote Similarity 0.6522 NPC69279
Remote Similarity 0.6517 NPC321514
Remote Similarity 0.6517 NPC59436
Remote Similarity 0.6517 NPC260385
Remote Similarity 0.6517 NPC74410
Remote Similarity 0.6517 NPC239098
Remote Similarity 0.6517 NPC198240
Remote Similarity 0.6517 NPC280654
Remote Similarity 0.6517 NPC110094
Remote Similarity 0.6517 NPC179028
Remote Similarity 0.6512 NPC161187
Remote Similarity 0.6512 NPC244708
Remote Similarity 0.6512 NPC330659
Remote Similarity 0.6512 NPC35656
Remote Similarity 0.6506 NPC60120
Remote Similarity 0.6505 NPC98765
Remote Similarity 0.6489 NPC472869
Remote Similarity 0.6477 NPC89294
Remote Similarity 0.6477 NPC180886
Remote Similarity 0.6477 NPC215481
Remote Similarity 0.6471 NPC474348
Remote Similarity 0.6471 NPC18543
Remote Similarity 0.6452 NPC165064
Remote Similarity 0.6452 NPC248758
Remote Similarity 0.6452 NPC476038
Remote Similarity 0.6452 NPC194937
Remote Similarity 0.6452 NPC164577
Remote Similarity 0.6444 NPC16394
Remote Similarity 0.6444 NPC199595
Remote Similarity 0.6444 NPC231431
Remote Similarity 0.6444 NPC327674
Remote Similarity 0.6437 NPC213223
Remote Similarity 0.6429 NPC36616
Remote Similarity 0.6429 NPC290445
Remote Similarity 0.6413 NPC320514
Remote Similarity 0.6404 NPC472014
Remote Similarity 0.6404 NPC211279
Remote Similarity 0.6392 NPC17143
Remote Similarity 0.6392 NPC47230
Remote Similarity 0.6386 NPC314221
Remote Similarity 0.6386 NPC60424
Remote Similarity 0.6383 NPC269638
Remote Similarity 0.6383 NPC142649
Remote Similarity 0.6383 NPC283733
Remote Similarity 0.6383 NPC29447
Remote Similarity 0.6381 NPC233256
Remote Similarity 0.6381 NPC195841
Remote Similarity 0.6375 NPC40206
Remote Similarity 0.6374 NPC104545
Remote Similarity 0.6374 NPC37038
Remote Similarity 0.6364 NPC251435
Remote Similarity 0.6364 NPC477290
Remote Similarity 0.6364 NPC67367
Remote Similarity 0.6364 NPC77501
Remote Similarity 0.6354 NPC472870
Remote Similarity 0.6344 NPC477852
Remote Similarity 0.6344 NPC470948
Remote Similarity 0.6344 NPC97913
Remote Similarity 0.6337 NPC476344
Remote Similarity 0.6333 NPC321180
Remote Similarity 0.6316 NPC155011
Remote Similarity 0.6316 NPC186975
Remote Similarity 0.6316 NPC6247
Remote Similarity 0.631 NPC472875
Remote Similarity 0.6304 NPC90055
Remote Similarity 0.6304 NPC263272
Remote Similarity 0.6304 NPC473420
Remote Similarity 0.6304 NPC221647
Remote Similarity 0.6304 NPC278459
Remote Similarity 0.6304 NPC274050
Remote Similarity 0.6304 NPC162632
Remote Similarity 0.6304 NPC40228
Remote Similarity 0.6304 NPC229584
Remote Similarity 0.6304 NPC14203
Remote Similarity 0.6304 NPC142244
Remote Similarity 0.6304 NPC471898
Remote Similarity 0.6304 NPC267691
Remote Similarity 0.6304 NPC327002
Remote Similarity 0.63 NPC40663
Remote Similarity 0.63 NPC150041
Remote Similarity 0.6292 NPC246445
Remote Similarity 0.6289 NPC232747
Remote Similarity 0.6289 NPC477215
Remote Similarity 0.6289 NPC476388
Remote Similarity 0.6286 NPC119329
Remote Similarity 0.6279 NPC91369
Remote Similarity 0.6279 NPC235586
Remote Similarity 0.6265 NPC474329
Remote Similarity 0.6265 NPC474304
Remote Similarity 0.6264 NPC472013
Remote Similarity 0.6264 NPC181195
Remote Similarity 0.6264 NPC308545
Remote Similarity 0.6264 NPC82488
Remote Similarity 0.6264 NPC476624
Remote Similarity 0.6264 NPC215843
Remote Similarity 0.6264 NPC261125
Remote Similarity 0.6264 NPC89128
Remote Similarity 0.625 NPC142361
Remote Similarity 0.625 NPC233836
Remote Similarity 0.625 NPC306928
Remote Similarity 0.625 NPC136948
Remote Similarity 0.625 NPC166797
Remote Similarity 0.625 NPC96496
Remote Similarity 0.625 NPC46610
Remote Similarity 0.625 NPC236618
Remote Similarity 0.625 NPC159046
Remote Similarity 0.625 NPC474684
Remote Similarity 0.625 NPC187376
Remote Similarity 0.625 NPC18819
Remote Similarity 0.625 NPC167877
Remote Similarity 0.625 NPC312215
Remote Similarity 0.625 NPC128644
Remote Similarity 0.6237 NPC69101
Remote Similarity 0.6237 NPC302661
Remote Similarity 0.6237 NPC238991
Remote Similarity 0.6237 NPC20262
Remote Similarity 0.6237 NPC256750
Remote Similarity 0.6237 NPC251779
Remote Similarity 0.6235 NPC53302
Remote Similarity 0.6224 NPC472866
Remote Similarity 0.6224 NPC477288
Remote Similarity 0.6224 NPC474964
Remote Similarity 0.6222 NPC238227
Remote Similarity 0.6222 NPC68828
Remote Similarity 0.6222 NPC276769
Remote Similarity 0.6222 NPC122264
Remote Similarity 0.6222 NPC212661
Remote Similarity 0.6222 NPC66105
Remote Similarity 0.6222 NPC471035
Remote Similarity 0.6222 NPC86917
Remote Similarity 0.6211 NPC106416
Remote Similarity 0.6211 NPC65661
Remote Similarity 0.6211 NPC476628
Remote Similarity 0.6211 NPC52628
Remote Similarity 0.6211 NPC86316
Remote Similarity 0.6207 NPC72343
Remote Similarity 0.6207 NPC288667
Remote Similarity 0.6203 NPC319279

Drug Structure

External Identifiers

TTD   DIB007873
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   59509752
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  209.14
ALogP  -0.5286
MLogP  2.45
XLogP  1.504
HDA  3
HBD  2
Rotatable Bonds  7
TPSA  63.32
RO5 Violation  0