Drug Information

Drug ID:  NPD7460
Drug Name:  SDZ-224-015
Molecular Formula:  C30H35Cl2N3O9
Canonical SMILES:  CCOC(=O)C[C@H](C(=O)COC(=O)c1c(Cl)cccc1Cl)N=C([C@@H](N=C([C@H](C(C)C)N=C(OCc1ccccc1)O)O)C)O
Standard InCHI:  InChI=1S/C30H35Cl2N3O9/c1-5-42-24(37)14-22(23(36)16-43-29(40)25-20(31)12-9-13-21(25)32)34-27(38)18(4)33-28(39)26(17(2)3)35-30(41)44-15-19-10-7-6-8-11-19/h6-13,17-18,22,26H,5,14-16H2,1-4H3,(H,33,39)(H,34,38)(H,35,41)/t18-,22+,26-/m0/s1
Standard InCHIKey:  VMKPCENEHPIWJT-MNDLBQGCSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7460

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 0.72 NPC49315
Intermediate Similarity 0.7059 NPC476278
Intermediate Similarity 0.7017 NPC86678
Remote Similarity 0.6989 NPC151030
Remote Similarity 0.6989 NPC269383
Remote Similarity 0.6974 NPC476183
Remote Similarity 0.6966 NPC227778
Remote Similarity 0.6928 NPC476184
Remote Similarity 0.6928 NPC476281
Remote Similarity 0.6903 NPC476241
Remote Similarity 0.6903 NPC476260
Remote Similarity 0.6859 NPC476179
Remote Similarity 0.6859 NPC476125
Remote Similarity 0.6859 NPC47667
Remote Similarity 0.6855 NPC473247
Remote Similarity 0.6813 NPC263507
Remote Similarity 0.6813 NPC271958
Remote Similarity 0.6813 NPC134413
Remote Similarity 0.6813 NPC45112
Remote Similarity 0.6752 NPC4974
Remote Similarity 0.6746 NPC132771
Remote Similarity 0.6688 NPC475691
Remote Similarity 0.6667 NPC306001
Remote Similarity 0.6667 NPC324251
Remote Similarity 0.6667 NPC473400
Remote Similarity 0.6667 NPC275170
Remote Similarity 0.6667 NPC471629
Remote Similarity 0.6667 NPC206211
Remote Similarity 0.6614 NPC471623
Remote Similarity 0.6591 NPC473367
Remote Similarity 0.6584 NPC301857
Remote Similarity 0.6579 NPC471754
Remote Similarity 0.6579 NPC317882
Remote Similarity 0.6571 NPC212699
Remote Similarity 0.6571 NPC207675
Remote Similarity 0.6561 NPC160493
Remote Similarity 0.6556 NPC273814
Remote Similarity 0.6545 NPC67246
Remote Similarity 0.6545 NPC33372
Remote Similarity 0.6541 NPC295664
Remote Similarity 0.6492 NPC473300
Remote Similarity 0.6492 NPC475336
Remote Similarity 0.6492 NPC453583
Remote Similarity 0.648 NPC472375
Remote Similarity 0.6467 NPC216122
Remote Similarity 0.6463 NPC475569
Remote Similarity 0.646 NPC210950
Remote Similarity 0.646 NPC199738
Remote Similarity 0.6452 NPC169328
Remote Similarity 0.6447 NPC472391
Remote Similarity 0.6433 NPC473243
Remote Similarity 0.6433 NPC190663
Remote Similarity 0.6425 NPC476750
Remote Similarity 0.642 NPC148026
Remote Similarity 0.6415 NPC475692
Remote Similarity 0.6415 NPC474283
Remote Similarity 0.6412 NPC182869
Remote Similarity 0.641 NPC310467
Remote Similarity 0.641 NPC181964
Remote Similarity 0.641 NPC208553
Remote Similarity 0.641 NPC471606
Remote Similarity 0.6405 NPC153053
Remote Similarity 0.6402 NPC246913
Remote Similarity 0.6396 NPC472392
Remote Similarity 0.6395 NPC474365
Remote Similarity 0.6395 NPC301943
Remote Similarity 0.6378 NPC473558
Remote Similarity 0.6378 NPC473490
Remote Similarity 0.6364 NPC470392
Remote Similarity 0.6359 NPC321072
Remote Similarity 0.6359 NPC242662
Remote Similarity 0.6359 NPC191193
Remote Similarity 0.6359 NPC215892
Remote Similarity 0.6358 NPC114096
Remote Similarity 0.6358 NPC477737
Remote Similarity 0.6352 NPC26285
Remote Similarity 0.6351 NPC324786
Remote Similarity 0.635 NPC116862
Remote Similarity 0.6341 NPC272946
Remote Similarity 0.6341 NPC471832
Remote Similarity 0.634 NPC161611
Remote Similarity 0.6335 NPC57607
Remote Similarity 0.6331 NPC276652
Remote Similarity 0.6329 NPC477061
Remote Similarity 0.6329 NPC45777
Remote Similarity 0.6325 NPC76453
Remote Similarity 0.6322 NPC205389
Remote Similarity 0.6316 NPC209509
Remote Similarity 0.6316 NPC305912
Remote Similarity 0.6316 NPC1082
Remote Similarity 0.6312 NPC35996
Remote Similarity 0.6309 NPC269457
Remote Similarity 0.6303 NPC469519
Remote Similarity 0.6302 NPC327699
Remote Similarity 0.6301 NPC105717
Remote Similarity 0.63 NPC289383
Remote Similarity 0.6299 NPC474363
Remote Similarity 0.6294 NPC475660
Remote Similarity 0.6292 NPC56635
Remote Similarity 0.6279 NPC153214
Remote Similarity 0.6275 NPC321852
Remote Similarity 0.6275 NPC270699
Remote Similarity 0.6275 NPC82899
Remote Similarity 0.6273 NPC138798
Remote Similarity 0.6273 NPC285394
Remote Similarity 0.6266 NPC204784
Remote Similarity 0.6265 NPC244866
Remote Similarity 0.6264 NPC170668
Remote Similarity 0.6258 NPC471318
Remote Similarity 0.6257 NPC473654
Remote Similarity 0.6257 NPC473497
Remote Similarity 0.625 NPC196246
Remote Similarity 0.625 NPC232583
Remote Similarity 0.625 NPC214067
Remote Similarity 0.625 NPC6570
Remote Similarity 0.625 NPC25484
Remote Similarity 0.625 NPC251854
Remote Similarity 0.625 NPC476749
Remote Similarity 0.625 NPC472247
Remote Similarity 0.625 NPC93084
Remote Similarity 0.625 NPC43755
Remote Similarity 0.623 NPC473502
Remote Similarity 0.6228 NPC477364
Remote Similarity 0.6226 NPC80150
Remote Similarity 0.6221 NPC183540
Remote Similarity 0.622 NPC296712
Remote Similarity 0.6218 NPC197470
Remote Similarity 0.6213 NPC281104
Remote Similarity 0.6209 NPC260818
Remote Similarity 0.6209 NPC476003
Remote Similarity 0.6207 NPC127857
Remote Similarity 0.6205 NPC326966
Remote Similarity 0.6205 NPC475478
Remote Similarity 0.6205 NPC246079
Remote Similarity 0.6203 NPC237420
Remote Similarity 0.6199 NPC139326
Remote Similarity 0.6199 NPC91953
Remote Similarity 0.6199 NPC469360
Remote Similarity 0.6196 NPC476599
Remote Similarity 0.6193 NPC185404
Remote Similarity 0.619 NPC118343
Remote Similarity 0.619 NPC136608
Remote Similarity 0.619 NPC38420
Remote Similarity 0.619 NPC477368
Remote Similarity 0.619 NPC146351
Remote Similarity 0.6185 NPC182475
Remote Similarity 0.6185 NPC82467
Remote Similarity 0.6185 NPC45307
Remote Similarity 0.6184 NPC10251
Remote Similarity 0.6184 NPC17417
Remote Similarity 0.6184 NPC469636
Remote Similarity 0.6182 NPC2596
Remote Similarity 0.6182 NPC478147
Remote Similarity 0.6182 NPC226101
Remote Similarity 0.6182 NPC237182
Remote Similarity 0.6182 NPC325651
Remote Similarity 0.6176 NPC471316
Remote Similarity 0.6173 NPC318067
Remote Similarity 0.6173 NPC472704
Remote Similarity 0.6173 NPC473942
Remote Similarity 0.6169 NPC158282
Remote Similarity 0.6163 NPC475413
Remote Similarity 0.6163 NPC474303
Remote Similarity 0.6163 NPC213567
Remote Similarity 0.6163 NPC242355
Remote Similarity 0.6163 NPC77493
Remote Similarity 0.6159 NPC169913
Remote Similarity 0.6158 NPC161239
Remote Similarity 0.6158 NPC286551
Remote Similarity 0.6158 NPC198455
Remote Similarity 0.6158 NPC125033
Remote Similarity 0.6158 NPC112216
Remote Similarity 0.6158 NPC165260
Remote Similarity 0.6154 NPC232888
Remote Similarity 0.6154 NPC127741
Remote Similarity 0.6154 NPC477893
Remote Similarity 0.6154 NPC265459
Remote Similarity 0.6154 NPC475262
Remote Similarity 0.6154 NPC270364
Remote Similarity 0.6154 NPC290833
Remote Similarity 0.6154 NPC477367
Remote Similarity 0.6149 NPC42211
Remote Similarity 0.6149 NPC135121
Remote Similarity 0.6145 NPC77719
Remote Similarity 0.6145 NPC477100
Remote Similarity 0.6145 NPC477098
Remote Similarity 0.614 NPC469427
Remote Similarity 0.614 NPC263493
Remote Similarity 0.614 NPC269398
Remote Similarity 0.614 NPC197921
Remote Similarity 0.614 NPC469426
Remote Similarity 0.6133 NPC477735
Remote Similarity 0.6131 NPC323379
Remote Similarity 0.6131 NPC327204
Remote Similarity 0.6129 NPC474584
Remote Similarity 0.6129 NPC128368
Remote Similarity 0.6127 NPC201244
Remote Similarity 0.6127 NPC477217
Remote Similarity 0.6127 NPC472546
Remote Similarity 0.6125 NPC478016

Drug Structure

External Identifiers

TTD   DIB014771
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  651.18
ALogP  1.6988
MLogP  3.22
XLogP  5.422
HDA  12
HBD  3
Rotatable Bonds  27
TPSA  176.67
RO5 Violation  3