Drug Information

Drug ID:  NPD8297
Drug Name:  Prednisolone Steaglate
Molecular Formula:  C41H64O8
Canonical SMILES:  CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Standard InCHI:  InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1
Standard InCHIKey:  RBJROVWIRLFZFC-PNLFXGMVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8297

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
High Similarity 0.9515 NPC44063
High Similarity 0.9333 NPC2766
High Similarity 0.9091 NPC471854
High Similarity 0.9009 NPC311554
High Similarity 0.9009 NPC257457
High Similarity 0.9 NPC270958
High Similarity 0.8942 NPC473928
High Similarity 0.8932 NPC144956
High Similarity 0.8899 NPC100267
High Similarity 0.8899 NPC475524
High Similarity 0.8899 NPC71348
High Similarity 0.8868 NPC181265
High Similarity 0.8839 NPC118638
High Similarity 0.8818 NPC202889
High Similarity 0.8807 NPC43775
High Similarity 0.8796 NPC41405
High Similarity 0.8774 NPC235889
High Similarity 0.8738 NPC18509
High Similarity 0.8727 NPC170487
High Similarity 0.8727 NPC280782
High Similarity 0.8716 NPC197428
High Similarity 0.8692 NPC196528
High Similarity 0.8661 NPC148458
High Similarity 0.8649 NPC194100
High Similarity 0.8649 NPC250109
High Similarity 0.8636 NPC214797
High Similarity 0.8636 NPC118860
High Similarity 0.8636 NPC231589
High Similarity 0.8624 NPC258543
High Similarity 0.8624 NPC241927
High Similarity 0.8624 NPC304495
High Similarity 0.8611 NPC475294
High Similarity 0.8598 NPC137657
High Similarity 0.8585 NPC271266
High Similarity 0.8585 NPC22388
High Similarity 0.8585 NPC308351
High Similarity 0.8584 NPC239273
High Similarity 0.8559 NPC152117
High Similarity 0.8559 NPC234042
High Similarity 0.8559 NPC147180
High Similarity 0.8559 NPC221144
High Similarity 0.8559 NPC264634
High Similarity 0.8547 NPC473255
High Similarity 0.8545 NPC5284
High Similarity 0.8532 NPC94529
Intermediate Similarity 0.8482 NPC255017
Intermediate Similarity 0.8482 NPC52634
Intermediate Similarity 0.8482 NPC962
Intermediate Similarity 0.8455 NPC214644
Intermediate Similarity 0.844 NPC220974
Intermediate Similarity 0.8435 NPC61520
Intermediate Similarity 0.843 NPC471855
Intermediate Similarity 0.8426 NPC29705
Intermediate Similarity 0.8411 NPC473163
Intermediate Similarity 0.8407 NPC473798
Intermediate Similarity 0.8403 NPC470882
Intermediate Similarity 0.8403 NPC473265
Intermediate Similarity 0.8393 NPC90769
Intermediate Similarity 0.8378 NPC235077
Intermediate Similarity 0.8376 NPC222688
Intermediate Similarity 0.8376 NPC313528
Intermediate Similarity 0.8365 NPC477437
Intermediate Similarity 0.8365 NPC477438
Intermediate Similarity 0.8364 NPC470269
Intermediate Similarity 0.8362 NPC109973
Intermediate Similarity 0.8349 NPC470267
Intermediate Similarity 0.8349 NPC231530
Intermediate Similarity 0.8349 NPC265127
Intermediate Similarity 0.8349 NPC475571
Intermediate Similarity 0.8349 NPC278628
Intermediate Similarity 0.8348 NPC329736
Intermediate Similarity 0.8333 NPC264048
Intermediate Similarity 0.8333 NPC298278
Intermediate Similarity 0.8333 NPC311612
Intermediate Similarity 0.8333 NPC152199
Intermediate Similarity 0.8333 NPC266728
Intermediate Similarity 0.8333 NPC251236
Intermediate Similarity 0.8333 NPC235539
Intermediate Similarity 0.8333 NPC49492
Intermediate Similarity 0.8333 NPC40632
Intermediate Similarity 0.8333 NPC134869
Intermediate Similarity 0.8333 NPC96312
Intermediate Similarity 0.8333 NPC328374
Intermediate Similarity 0.8319 NPC472926
Intermediate Similarity 0.8319 NPC198539
Intermediate Similarity 0.8318 NPC224720
Intermediate Similarity 0.8318 NPC476223
Intermediate Similarity 0.8318 NPC476240
Intermediate Similarity 0.8305 NPC473979
Intermediate Similarity 0.8302 NPC114274
Intermediate Similarity 0.8302 NPC477854
Intermediate Similarity 0.8288 NPC470257
Intermediate Similarity 0.8286 NPC305483
Intermediate Similarity 0.8286 NPC96859
Intermediate Similarity 0.8286 NPC328162
Intermediate Similarity 0.8276 NPC472933
Intermediate Similarity 0.8276 NPC473203
Intermediate Similarity 0.8276 NPC5292
Intermediate Similarity 0.8273 NPC185
Intermediate Similarity 0.8269 NPC477439
Intermediate Similarity 0.8264 NPC470880
Intermediate Similarity 0.8264 NPC471407
Intermediate Similarity 0.8257 NPC149124
Intermediate Similarity 0.8257 NPC471293
Intermediate Similarity 0.8257 NPC135854
Intermediate Similarity 0.8257 NPC470251
Intermediate Similarity 0.8257 NPC216245
Intermediate Similarity 0.8257 NPC255309
Intermediate Similarity 0.8257 NPC75531
Intermediate Similarity 0.8257 NPC2436
Intermediate Similarity 0.8252 NPC185936
Intermediate Similarity 0.8252 NPC168027
Intermediate Similarity 0.825 NPC473253
Intermediate Similarity 0.8246 NPC18547
Intermediate Similarity 0.8246 NPC474906
Intermediate Similarity 0.8241 NPC119601
Intermediate Similarity 0.8241 NPC136289
Intermediate Similarity 0.8241 NPC87351
Intermediate Similarity 0.8241 NPC308726
Intermediate Similarity 0.8235 NPC475194
Intermediate Similarity 0.823 NPC474516
Intermediate Similarity 0.823 NPC207251
Intermediate Similarity 0.8224 NPC167974
Intermediate Similarity 0.8224 NPC476274
Intermediate Similarity 0.8214 NPC6206
Intermediate Similarity 0.8214 NPC239097
Intermediate Similarity 0.8208 NPC108078
Intermediate Similarity 0.8205 NPC471406
Intermediate Similarity 0.8205 NPC241192
Intermediate Similarity 0.8205 NPC79579
Intermediate Similarity 0.8205 NPC474370
Intermediate Similarity 0.8198 NPC258323
Intermediate Similarity 0.8198 NPC293850
Intermediate Similarity 0.8198 NPC472825
Intermediate Similarity 0.819 NPC153440
Intermediate Similarity 0.819 NPC469599
Intermediate Similarity 0.819 NPC317586
Intermediate Similarity 0.819 NPC184848
Intermediate Similarity 0.819 NPC297179
Intermediate Similarity 0.819 NPC69548
Intermediate Similarity 0.819 NPC470016
Intermediate Similarity 0.8182 NPC475494
Intermediate Similarity 0.8182 NPC96377
Intermediate Similarity 0.8174 NPC190286
Intermediate Similarity 0.8174 NPC270929
Intermediate Similarity 0.8173 NPC109414
Intermediate Similarity 0.8173 NPC470376
Intermediate Similarity 0.8173 NPC477435
Intermediate Similarity 0.8173 NPC470375
Intermediate Similarity 0.8173 NPC477436
Intermediate Similarity 0.8165 NPC70967
Intermediate Similarity 0.8165 NPC33973
Intermediate Similarity 0.8165 NPC191892
Intermediate Similarity 0.8165 NPC117185
Intermediate Similarity 0.8165 NPC140723
Intermediate Similarity 0.8158 NPC73300
Intermediate Similarity 0.8158 NPC317210
Intermediate Similarity 0.8158 NPC472929
Intermediate Similarity 0.8158 NPC49451
Intermediate Similarity 0.8158 NPC260665
Intermediate Similarity 0.8158 NPC108721
Intermediate Similarity 0.8155 NPC471896
Intermediate Similarity 0.8148 NPC302537
Intermediate Similarity 0.8148 NPC163372
Intermediate Similarity 0.8148 NPC477053
Intermediate Similarity 0.8148 NPC469327
Intermediate Similarity 0.8148 NPC477051
Intermediate Similarity 0.8148 NPC477052
Intermediate Similarity 0.8148 NPC81530
Intermediate Similarity 0.8142 NPC470281
Intermediate Similarity 0.8136 NPC42675
Intermediate Similarity 0.8136 NPC46570
Intermediate Similarity 0.8136 NPC310511
Intermediate Similarity 0.8131 NPC477813
Intermediate Similarity 0.8125 NPC173905
Intermediate Similarity 0.8125 NPC170221
Intermediate Similarity 0.8125 NPC10064
Intermediate Similarity 0.8125 NPC5475
Intermediate Similarity 0.8125 NPC284828
Intermediate Similarity 0.8125 NPC472216
Intermediate Similarity 0.812 NPC475041
Intermediate Similarity 0.812 NPC161065
Intermediate Similarity 0.812 NPC264954
Intermediate Similarity 0.812 NPC319570
Intermediate Similarity 0.8115 NPC231529
Intermediate Similarity 0.8113 NPC477853
Intermediate Similarity 0.8113 NPC49371
Intermediate Similarity 0.8108 NPC83744
Intermediate Similarity 0.8108 NPC58370
Intermediate Similarity 0.8108 NPC3316
Intermediate Similarity 0.8108 NPC144459
Intermediate Similarity 0.8108 NPC144854
Intermediate Similarity 0.8108 NPC43285
Intermediate Similarity 0.8108 NPC165873
Intermediate Similarity 0.8103 NPC470959
Intermediate Similarity 0.8103 NPC476965
Intermediate Similarity 0.8103 NPC472934
Intermediate Similarity 0.8103 NPC472927
Intermediate Similarity 0.8095 NPC166906
Intermediate Similarity 0.8095 NPC111015

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  684.46
ALogP  -5.0153
MLogP  5.09
XLogP  9.823
HDA  8
HBD  2
Rotatable Bonds  28
TPSA  127.2
RO5 Violation  2