Drug Information

Drug ID:  NPD5088
Drug Name:  E-6700
Molecular Formula:  C22H25NO5
Canonical SMILES:  COC1=C(C)C(=O)C(=C(C1=O)C)/C=C(/C(=O)O)CCCCCc1cccnc1
Standard InCHI:  InChI=1S/C22H25NO5/c1-14-18(19(24)15(2)21(28-3)20(14)25)12-17(22(26)27)10-6-4-5-8-16-9-7-11-23-13-16/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,26,27)/b17-12+
Standard InCHIKey:  WWYFKRSBSWBEGV-SFQUDFHCSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5088

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 0.8176 NPC471997
Intermediate Similarity 0.8072 NPC41717
Intermediate Similarity 0.7908 NPC322488
Intermediate Similarity 0.7865 NPC114974
Intermediate Similarity 0.7829 NPC46895
Intermediate Similarity 0.7829 NPC207851
Intermediate Similarity 0.7778 NPC103230
Intermediate Similarity 0.7707 NPC114310
Intermediate Similarity 0.7697 NPC471311
Intermediate Similarity 0.7697 NPC471313
Intermediate Similarity 0.7692 NPC109922
Intermediate Similarity 0.7672 NPC472752
Intermediate Similarity 0.7657 NPC61011
Intermediate Similarity 0.7593 NPC167400
Intermediate Similarity 0.7571 NPC327373
Intermediate Similarity 0.7571 NPC325093
Intermediate Similarity 0.7571 NPC322043
Intermediate Similarity 0.7568 NPC160127
Intermediate Similarity 0.7568 NPC50997
Intermediate Similarity 0.7566 NPC475835
Intermediate Similarity 0.7556 NPC44354
Intermediate Similarity 0.7543 NPC83774
Intermediate Similarity 0.7532 NPC29702
Intermediate Similarity 0.7529 NPC139763
Intermediate Similarity 0.75 NPC328798
Intermediate Similarity 0.75 NPC325775
Intermediate Similarity 0.75 NPC164340
Intermediate Similarity 0.7486 NPC318020
Intermediate Similarity 0.7485 NPC477975
Intermediate Similarity 0.7471 NPC477976
Intermediate Similarity 0.7461 NPC292517
Intermediate Similarity 0.7459 NPC182814
Intermediate Similarity 0.7458 NPC73994
Intermediate Similarity 0.7449 NPC314270
Intermediate Similarity 0.7446 NPC135950
Intermediate Similarity 0.7446 NPC146724
Intermediate Similarity 0.7444 NPC118084
Intermediate Similarity 0.7425 NPC107287
Intermediate Similarity 0.7423 NPC471323
Intermediate Similarity 0.7394 NPC112741
Intermediate Similarity 0.7389 NPC256893
Intermediate Similarity 0.7385 NPC228331
Intermediate Similarity 0.7382 NPC193238
Intermediate Similarity 0.7381 NPC263455
Intermediate Similarity 0.7377 NPC127647
Intermediate Similarity 0.7347 NPC30570
Intermediate Similarity 0.7344 NPC470190
Intermediate Similarity 0.734 NPC470279
Intermediate Similarity 0.7337 NPC56170
Intermediate Similarity 0.7333 NPC317752
Intermediate Similarity 0.7333 NPC302159
Intermediate Similarity 0.7326 NPC473057
Intermediate Similarity 0.7321 NPC312860
Intermediate Similarity 0.7317 NPC230085
Intermediate Similarity 0.7317 NPC159630
Intermediate Similarity 0.7314 NPC273532
Intermediate Similarity 0.731 NPC162812
Intermediate Similarity 0.7296 NPC319128
Intermediate Similarity 0.7292 NPC225821
Intermediate Similarity 0.7287 NPC123395
Intermediate Similarity 0.7287 NPC103361
Intermediate Similarity 0.7287 NPC74413
Intermediate Similarity 0.7283 NPC471178
Intermediate Similarity 0.7282 NPC318299
Intermediate Similarity 0.7278 NPC324611
Intermediate Similarity 0.7277 NPC148860
Intermediate Similarity 0.7273 NPC90229
Intermediate Similarity 0.7267 NPC471177
Intermediate Similarity 0.7267 NPC124542
Intermediate Similarity 0.7267 NPC59779
Intermediate Similarity 0.7267 NPC471312
Intermediate Similarity 0.7263 NPC328596
Intermediate Similarity 0.7263 NPC328318
Intermediate Similarity 0.7259 NPC477910
Intermediate Similarity 0.7254 NPC258062
Intermediate Similarity 0.7254 NPC63041
Intermediate Similarity 0.7251 NPC113812
Intermediate Similarity 0.725 NPC2395
Intermediate Similarity 0.725 NPC477912
Intermediate Similarity 0.7244 NPC212125
Intermediate Similarity 0.724 NPC317373
Intermediate Similarity 0.7234 NPC474916
Intermediate Similarity 0.7231 NPC470189
Intermediate Similarity 0.7231 NPC40919
Intermediate Similarity 0.7228 NPC469489
Intermediate Similarity 0.7216 NPC472070
Intermediate Similarity 0.7216 NPC48042
Intermediate Similarity 0.7216 NPC304179
Intermediate Similarity 0.7216 NPC249614
Intermediate Similarity 0.7216 NPC472550
Intermediate Similarity 0.7215 NPC315320
Intermediate Similarity 0.7208 NPC290094
Intermediate Similarity 0.7207 NPC55772
Intermediate Similarity 0.7207 NPC213468
Intermediate Similarity 0.7205 NPC328029
Intermediate Similarity 0.7198 NPC295158
Intermediate Similarity 0.7198 NPC280290
Intermediate Similarity 0.7198 NPC282103
Intermediate Similarity 0.7194 NPC476467
Intermediate Similarity 0.7188 NPC289086
Intermediate Similarity 0.7188 NPC327592
Intermediate Similarity 0.7181 NPC329024
Intermediate Similarity 0.7181 NPC227582
Intermediate Similarity 0.7176 NPC209362
Intermediate Similarity 0.7174 NPC209917
Intermediate Similarity 0.7174 NPC183805
Intermediate Similarity 0.7173 NPC143977
Intermediate Similarity 0.7173 NPC260900
Intermediate Similarity 0.7172 NPC42678
Intermediate Similarity 0.7172 NPC477909
Intermediate Similarity 0.7172 NPC477907
Intermediate Similarity 0.7172 NPC207531
Intermediate Similarity 0.7168 NPC71079
Intermediate Similarity 0.7167 NPC317010
Intermediate Similarity 0.716 NPC65408
Intermediate Similarity 0.716 NPC70406
Intermediate Similarity 0.7158 NPC235684
Intermediate Similarity 0.7158 NPC121327
Intermediate Similarity 0.7152 NPC471402
Intermediate Similarity 0.7152 NPC240136
Intermediate Similarity 0.7152 NPC297486
Intermediate Similarity 0.7151 NPC80681
Intermediate Similarity 0.715 NPC216428
Intermediate Similarity 0.7143 NPC108469
Intermediate Similarity 0.7143 NPC233727
Intermediate Similarity 0.7143 NPC212213
Intermediate Similarity 0.7135 NPC469938
Intermediate Similarity 0.7135 NPC98715
Intermediate Similarity 0.7134 NPC165370
Intermediate Similarity 0.7126 NPC474217
Intermediate Similarity 0.712 NPC278434
Intermediate Similarity 0.7113 NPC46225
Intermediate Similarity 0.7111 NPC248462
Intermediate Similarity 0.711 NPC322644
Intermediate Similarity 0.7107 NPC87856
Intermediate Similarity 0.7107 NPC472553
Intermediate Similarity 0.7105 NPC81535
Intermediate Similarity 0.7102 NPC78020
Intermediate Similarity 0.7102 NPC470894
Intermediate Similarity 0.71 NPC62367
Intermediate Similarity 0.71 NPC187494
Intermediate Similarity 0.71 NPC319556
Intermediate Similarity 0.7097 NPC117244
Intermediate Similarity 0.7097 NPC473763
Intermediate Similarity 0.7095 NPC84347
Intermediate Similarity 0.709 NPC106824
Intermediate Similarity 0.7089 NPC89490
Intermediate Similarity 0.7083 NPC472069
Intermediate Similarity 0.7083 NPC105811
Intermediate Similarity 0.7083 NPC477974
Intermediate Similarity 0.7083 NPC472062
Intermediate Similarity 0.7083 NPC472063
Intermediate Similarity 0.7083 NPC57398
Intermediate Similarity 0.7077 NPC127677
Intermediate Similarity 0.7074 NPC20593
Intermediate Similarity 0.7074 NPC202812
Intermediate Similarity 0.7073 NPC475601
Intermediate Similarity 0.7072 NPC271792
Intermediate Similarity 0.707 NPC202957
Intermediate Similarity 0.707 NPC169625
Intermediate Similarity 0.7068 NPC252338
Intermediate Similarity 0.7066 NPC467188
Intermediate Similarity 0.7065 NPC315555
Intermediate Similarity 0.7062 NPC472065
Intermediate Similarity 0.7062 NPC309498
Intermediate Similarity 0.7062 NPC472064
Intermediate Similarity 0.7059 NPC235885
Intermediate Similarity 0.7059 NPC47190
Intermediate Similarity 0.7056 NPC157583
Intermediate Similarity 0.7053 NPC324245
Intermediate Similarity 0.7053 NPC317672
Intermediate Similarity 0.7053 NPC149708
Intermediate Similarity 0.7053 NPC320748
Intermediate Similarity 0.7053 NPC59033
Intermediate Similarity 0.705 NPC471016
Intermediate Similarity 0.7049 NPC285923
Intermediate Similarity 0.7049 NPC470003
Intermediate Similarity 0.7045 NPC127730
Intermediate Similarity 0.7045 NPC278366
Intermediate Similarity 0.7044 NPC475105
Intermediate Similarity 0.7044 NPC475090
Intermediate Similarity 0.7044 NPC477911
Intermediate Similarity 0.7044 NPC329896
Intermediate Similarity 0.7043 NPC154339
Intermediate Similarity 0.7043 NPC83111
Intermediate Similarity 0.7039 NPC134384
Intermediate Similarity 0.7039 NPC311196
Intermediate Similarity 0.7031 NPC328559
Intermediate Similarity 0.7031 NPC155792
Intermediate Similarity 0.7031 NPC300183
Intermediate Similarity 0.7029 NPC265100
Intermediate Similarity 0.7025 NPC306397
Intermediate Similarity 0.7021 NPC45850
Intermediate Similarity 0.7021 NPC267343
Intermediate Similarity 0.702 NPC111732
Intermediate Similarity 0.702 NPC280473
Intermediate Similarity 0.702 NPC323551
Intermediate Similarity 0.7018 NPC251391
Intermediate Similarity 0.7016 NPC284338
Intermediate Similarity 0.7006 NPC70949

Drug Structure

External Identifiers

TTD   DIB016607
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  383.17
ALogP  -0.1002
MLogP  3.22
XLogP  3.134
HDA  6
HBD  1
Rotatable Bonds  13
TPSA  93.56
RO5 Violation  0