Drug Information

Drug ID:  NPD5499
Drug Name:  Suvorexant
Molecular Formula:  C23H23ClN6O2
Canonical SMILES:  Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1
Standard InCHI:  InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
Standard InCHIKey:  JYTNQNCOQXFQPK-MRXNPFEDSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5499

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 0.7066 NPC196718
Intermediate Similarity 0.7023 NPC240384
Intermediate Similarity 0.7 NPC102593
Remote Similarity 0.6844 NPC141053
Remote Similarity 0.6825 NPC53534
Remote Similarity 0.6809 NPC323969
Remote Similarity 0.6782 NPC257851
Remote Similarity 0.6753 NPC161801
Remote Similarity 0.668 NPC469961
Remote Similarity 0.6679 NPC152620
Remote Similarity 0.6679 NPC101350
Remote Similarity 0.6642 NPC26543
Remote Similarity 0.6642 NPC235685
Remote Similarity 0.663 NPC148889
Remote Similarity 0.6602 NPC474428
Remote Similarity 0.6595 NPC74619
Remote Similarity 0.6575 NPC287208
Remote Similarity 0.6554 NPC473186
Remote Similarity 0.6525 NPC62995
Remote Similarity 0.6517 NPC260434
Remote Similarity 0.6506 NPC39370
Remote Similarity 0.6502 NPC216612
Remote Similarity 0.65 NPC63109
Remote Similarity 0.65 NPC258048
Remote Similarity 0.6477 NPC122436
Remote Similarity 0.6471 NPC471614
Remote Similarity 0.6468 NPC329631
Remote Similarity 0.6466 NPC157931
Remote Similarity 0.6457 NPC472259
Remote Similarity 0.6442 NPC66777
Remote Similarity 0.6442 NPC471762
Remote Similarity 0.6431 NPC49547
Remote Similarity 0.6426 NPC198401
Remote Similarity 0.6423 NPC72905
Remote Similarity 0.6417 NPC475774
Remote Similarity 0.6407 NPC180504
Remote Similarity 0.6404 NPC74575
Remote Similarity 0.6398 NPC322064
Remote Similarity 0.6385 NPC324361
Remote Similarity 0.6381 NPC194740
Remote Similarity 0.6371 NPC242923
Remote Similarity 0.6367 NPC91868
Remote Similarity 0.6367 NPC63971
Remote Similarity 0.6361 NPC196449
Remote Similarity 0.6361 NPC314222
Remote Similarity 0.6346 NPC38237
Remote Similarity 0.6333 NPC315062
Remote Similarity 0.6324 NPC182222
Remote Similarity 0.6321 NPC137353
Remote Similarity 0.6318 NPC116555
Remote Similarity 0.6314 NPC30540
Remote Similarity 0.6312 NPC27041
Remote Similarity 0.63 NPC35042
Remote Similarity 0.6291 NPC477585
Remote Similarity 0.6291 NPC477590
Remote Similarity 0.6291 NPC477588
Remote Similarity 0.6291 NPC477586
Remote Similarity 0.6283 NPC192712
Remote Similarity 0.6282 NPC142385
Remote Similarity 0.6273 NPC119006
Remote Similarity 0.6273 NPC267853
Remote Similarity 0.6264 NPC288987
Remote Similarity 0.6264 NPC316411
Remote Similarity 0.6259 NPC314954
Remote Similarity 0.6259 NPC208522
Remote Similarity 0.6255 NPC266249
Remote Similarity 0.625 NPC267811
Remote Similarity 0.625 NPC244897
Remote Similarity 0.6245 NPC295452
Remote Similarity 0.6245 NPC267928
Remote Similarity 0.6245 NPC470018
Remote Similarity 0.6245 NPC171393
Remote Similarity 0.6245 NPC187501
Remote Similarity 0.6231 NPC314633
Remote Similarity 0.6226 NPC248601
Remote Similarity 0.6226 NPC317701
Remote Similarity 0.6224 NPC185197
Remote Similarity 0.6222 NPC478078
Remote Similarity 0.6218 NPC470022
Remote Similarity 0.6218 NPC104712
Remote Similarity 0.6212 NPC77101
Remote Similarity 0.6207 NPC123839
Remote Similarity 0.6203 NPC308906
Remote Similarity 0.6198 NPC39500
Remote Similarity 0.6192 NPC82548
Remote Similarity 0.619 NPC207686
Remote Similarity 0.618 NPC225279
Remote Similarity 0.6179 NPC72715
Remote Similarity 0.6174 NPC477979
Remote Similarity 0.617 NPC165964
Remote Similarity 0.6169 NPC174758
Remote Similarity 0.6169 NPC174672
Remote Similarity 0.6168 NPC172222
Remote Similarity 0.6168 NPC220852
Remote Similarity 0.6163 NPC245816
Remote Similarity 0.6163 NPC476138
Remote Similarity 0.6162 NPC187145
Remote Similarity 0.6162 NPC186351
Remote Similarity 0.616 NPC94157
Remote Similarity 0.6159 NPC285343
Remote Similarity 0.6154 NPC243850
Remote Similarity 0.6149 NPC315499
Remote Similarity 0.6148 NPC286195
Remote Similarity 0.6142 NPC269270
Remote Similarity 0.6136 NPC476287
Remote Similarity 0.6134 NPC144452
Remote Similarity 0.6131 NPC469554
Remote Similarity 0.6131 NPC101543
Remote Similarity 0.6128 NPC472789
Remote Similarity 0.6126 NPC198673
Remote Similarity 0.6122 NPC146418
Remote Similarity 0.6119 NPC14686
Remote Similarity 0.6111 NPC322482
Remote Similarity 0.6111 NPC229893
Remote Similarity 0.6109 NPC19872
Remote Similarity 0.6105 NPC184408
Remote Similarity 0.6105 NPC303658
Remote Similarity 0.6101 NPC477587
Remote Similarity 0.6101 NPC477589
Remote Similarity 0.6101 NPC15801
Remote Similarity 0.6094 NPC168911
Remote Similarity 0.6089 NPC314659
Remote Similarity 0.6087 NPC253675
Remote Similarity 0.6084 NPC303374
Remote Similarity 0.6084 NPC471304
Remote Similarity 0.6082 NPC208084
Remote Similarity 0.6078 NPC270515
Remote Similarity 0.6071 NPC471593
Remote Similarity 0.607 NPC81535
Remote Similarity 0.6067 NPC305984
Remote Similarity 0.6065 NPC470017
Remote Similarity 0.6062 NPC295898
Remote Similarity 0.6059 NPC116701
Remote Similarity 0.6049 NPC314882
Remote Similarity 0.6048 NPC197335
Remote Similarity 0.6045 NPC9482
Remote Similarity 0.6044 NPC323244
Remote Similarity 0.6038 NPC26679
Remote Similarity 0.6038 NPC6865
Remote Similarity 0.6038 NPC118940
Remote Similarity 0.6038 NPC110182
Remote Similarity 0.6038 NPC471194
Remote Similarity 0.6038 NPC153980
Remote Similarity 0.6038 NPC471193
Remote Similarity 0.6031 NPC239954
Remote Similarity 0.6031 NPC474916
Remote Similarity 0.603 NPC274982
Remote Similarity 0.603 NPC36405
Remote Similarity 0.6029 NPC471615
Remote Similarity 0.6028 NPC472434
Remote Similarity 0.6026 NPC179896
Remote Similarity 0.6023 NPC470020
Remote Similarity 0.6022 NPC168209
Remote Similarity 0.6022 NPC274640
Remote Similarity 0.6022 NPC315822
Remote Similarity 0.6021 NPC472436
Remote Similarity 0.6021 NPC478006
Remote Similarity 0.6015 NPC132539
Remote Similarity 0.6015 NPC220851
Remote Similarity 0.6014 NPC473312
Remote Similarity 0.6014 NPC328924
Remote Similarity 0.6014 NPC279189
Remote Similarity 0.6014 NPC200553
Remote Similarity 0.6008 NPC285192
Remote Similarity 0.6007 NPC132631
Remote Similarity 0.6007 NPC244425
Remote Similarity 0.6007 NPC471197
Remote Similarity 0.6007 NPC103687
Remote Similarity 0.6007 NPC15384
Remote Similarity 0.6 NPC57398
Remote Similarity 0.6 NPC132642
Remote Similarity 0.6 NPC169716
Remote Similarity 0.6 NPC72956
Remote Similarity 0.5993 NPC323198
Remote Similarity 0.5986 NPC28945
Remote Similarity 0.5985 NPC197141
Remote Similarity 0.5985 NPC185782
Remote Similarity 0.5985 NPC131885
Remote Similarity 0.5985 NPC471198
Remote Similarity 0.5984 NPC476460
Remote Similarity 0.5978 NPC474688
Remote Similarity 0.5977 NPC280638
Remote Similarity 0.5972 NPC472435
Remote Similarity 0.597 NPC471192
Remote Similarity 0.5966 NPC117980
Remote Similarity 0.5962 NPC199667
Remote Similarity 0.5957 NPC267078
Remote Similarity 0.5957 NPC935
Remote Similarity 0.5956 NPC175150
Remote Similarity 0.5956 NPC243633
Remote Similarity 0.5953 NPC470787
Remote Similarity 0.5953 NPC472540
Remote Similarity 0.5953 NPC472539
Remote Similarity 0.5952 NPC478083
Remote Similarity 0.5952 NPC87391
Remote Similarity 0.5951 NPC475666
Remote Similarity 0.595 NPC162002
Remote Similarity 0.5945 NPC324091
Remote Similarity 0.5942 NPC326363
Remote Similarity 0.5941 NPC276657

Drug Structure

External Identifiers

TTD   DNC010908
DrugBank   DB09034
ChEMBL   CHEMBL1083659
IUPHAR/BPS   2890
PharmaGKB  
KEGG Drug   D10082
PubChem CID   24965990
ChEBI   82698
CAS Number  1030377-33-3

Drug Properties

Molecular Weight  450.16
ALogP  0.3715
MLogP  3
XLogP  4.243
HDA  7
HBD  0
Rotatable Bonds  7
TPSA  79.77
RO5 Violation  0