Drug Information

Drug ID:  NPD5141
Drug Name:  Fluprednidene
Molecular Formula:  C22H27FO5
Canonical SMILES:  OCC(=O)[C@@]1(O)C(=C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
Standard InCHI:  InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1
Standard InCHIKey:  YVHXHNGGPURVOS-SBTDHBFYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD5141

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 0.9583 NPC144956
High Similarity 0.9375 NPC18509
High Similarity 0.9216 NPC2766
High Similarity 0.9126 NPC235077
High Similarity 0.91 NPC311612
High Similarity 0.9029 NPC214644
High Similarity 0.902 NPC44063
High Similarity 0.902 NPC185
High Similarity 0.9 NPC87351
High Similarity 0.8854 NPC168027
High Similarity 0.8854 NPC185936
High Similarity 0.8738 NPC257353
High Similarity 0.8725 NPC111323
High Similarity 0.8687 NPC249954
High Similarity 0.8654 NPC83744
High Similarity 0.8646 NPC326627
High Similarity 0.8646 NPC310010
High Similarity 0.8627 NPC477915
High Similarity 0.8627 NPC473424
High Similarity 0.8614 NPC154072
High Similarity 0.8586 NPC259286
High Similarity 0.8571 NPC329417
High Similarity 0.8558 NPC296945
High Similarity 0.8558 NPC49958
High Similarity 0.8558 NPC97202
High Similarity 0.8558 NPC302607
High Similarity 0.8558 NPC202167
High Similarity 0.8558 NPC150531
High Similarity 0.8558 NPC85829
High Similarity 0.8558 NPC171137
High Similarity 0.8558 NPC152695
High Similarity 0.8558 NPC214264
High Similarity 0.8558 NPC260268
High Similarity 0.8558 NPC476027
High Similarity 0.8558 NPC48733
High Similarity 0.8558 NPC50692
High Similarity 0.8558 NPC319077
High Similarity 0.8544 NPC249187
High Similarity 0.8544 NPC247957
High Similarity 0.8542 NPC328539
High Similarity 0.8519 NPC108721
High Similarity 0.8519 NPC73300
High Similarity 0.85 NPC192428
High Similarity 0.85 NPC49371
Intermediate Similarity 0.8485 NPC111015
Intermediate Similarity 0.8485 NPC8993
Intermediate Similarity 0.8476 NPC477916
Intermediate Similarity 0.8476 NPC475060
Intermediate Similarity 0.8476 NPC220229
Intermediate Similarity 0.8469 NPC475806
Intermediate Similarity 0.8469 NPC472978
Intermediate Similarity 0.8462 NPC209502
Intermediate Similarity 0.8462 NPC204833
Intermediate Similarity 0.8462 NPC137657
Intermediate Similarity 0.8455 NPC471854
Intermediate Similarity 0.8431 NPC15390
Intermediate Similarity 0.8431 NPC474720
Intermediate Similarity 0.84 NPC180950
Intermediate Similarity 0.84 NPC472932
Intermediate Similarity 0.8396 NPC217201
Intermediate Similarity 0.8396 NPC65941
Intermediate Similarity 0.8384 NPC69454
Intermediate Similarity 0.8384 NPC233118
Intermediate Similarity 0.8384 NPC472930
Intermediate Similarity 0.8381 NPC149047
Intermediate Similarity 0.8365 NPC191892
Intermediate Similarity 0.835 NPC163372
Intermediate Similarity 0.835 NPC302537
Intermediate Similarity 0.8333 NPC327115
Intermediate Similarity 0.8333 NPC114274
Intermediate Similarity 0.8318 NPC11710
Intermediate Similarity 0.83 NPC196485
Intermediate Similarity 0.83 NPC299100
Intermediate Similarity 0.83 NPC245972
Intermediate Similarity 0.8286 NPC75531
Intermediate Similarity 0.8286 NPC235889
Intermediate Similarity 0.8286 NPC72255
Intermediate Similarity 0.8286 NPC149124
Intermediate Similarity 0.8283 NPC272746
Intermediate Similarity 0.8283 NPC63748
Intermediate Similarity 0.8283 NPC473998
Intermediate Similarity 0.8269 NPC119601
Intermediate Similarity 0.8269 NPC308726
Intermediate Similarity 0.8265 NPC309603
Intermediate Similarity 0.8265 NPC474245
Intermediate Similarity 0.8265 NPC473999
Intermediate Similarity 0.8265 NPC31985
Intermediate Similarity 0.8265 NPC1015
Intermediate Similarity 0.8265 NPC472973
Intermediate Similarity 0.8265 NPC2983
Intermediate Similarity 0.8265 NPC275740
Intermediate Similarity 0.8265 NPC76879
Intermediate Similarity 0.8265 NPC477943
Intermediate Similarity 0.8265 NPC86319
Intermediate Similarity 0.8257 NPC207251
Intermediate Similarity 0.8257 NPC100267
Intermediate Similarity 0.8257 NPC71348
Intermediate Similarity 0.8257 NPC475524
Intermediate Similarity 0.8246 NPC313528
Intermediate Similarity 0.8235 NPC190554
Intermediate Similarity 0.8224 NPC177064
Intermediate Similarity 0.8218 NPC272617
Intermediate Similarity 0.8218 NPC472824
Intermediate Similarity 0.8218 NPC271195
Intermediate Similarity 0.8218 NPC473170
Intermediate Similarity 0.8214 NPC257457
Intermediate Similarity 0.8214 NPC311554
Intermediate Similarity 0.8208 NPC181265
Intermediate Similarity 0.8208 NPC60681
Intermediate Similarity 0.82 NPC474807
Intermediate Similarity 0.82 NPC475255
Intermediate Similarity 0.8198 NPC148458
Intermediate Similarity 0.819 NPC117185
Intermediate Similarity 0.819 NPC26478
Intermediate Similarity 0.8182 NPC171441
Intermediate Similarity 0.8182 NPC48010
Intermediate Similarity 0.8182 NPC134321
Intermediate Similarity 0.8182 NPC317210
Intermediate Similarity 0.8182 NPC320026
Intermediate Similarity 0.8173 NPC224720
Intermediate Similarity 0.8173 NPC476240
Intermediate Similarity 0.8173 NPC476223
Intermediate Similarity 0.8173 NPC81530
Intermediate Similarity 0.8163 NPC143767
Intermediate Similarity 0.8163 NPC131470
Intermediate Similarity 0.8155 NPC147954
Intermediate Similarity 0.8155 NPC103051
Intermediate Similarity 0.8155 NPC197386
Intermediate Similarity 0.8144 NPC469994
Intermediate Similarity 0.8144 NPC20688
Intermediate Similarity 0.8137 NPC471463
Intermediate Similarity 0.8137 NPC477853
Intermediate Similarity 0.8137 NPC305483
Intermediate Similarity 0.8137 NPC96859
Intermediate Similarity 0.8137 NPC328162
Intermediate Similarity 0.8131 NPC43285
Intermediate Similarity 0.8131 NPC58370
Intermediate Similarity 0.8131 NPC165873
Intermediate Similarity 0.8131 NPC475294
Intermediate Similarity 0.8131 NPC472925
Intermediate Similarity 0.8125 NPC227064
Intermediate Similarity 0.8125 NPC144258
Intermediate Similarity 0.8125 NPC237712
Intermediate Similarity 0.8125 NPC329043
Intermediate Similarity 0.8125 NPC321187
Intermediate Similarity 0.8125 NPC58841
Intermediate Similarity 0.8125 NPC161423
Intermediate Similarity 0.8119 NPC472976
Intermediate Similarity 0.8119 NPC472977
Intermediate Similarity 0.8119 NPC474690
Intermediate Similarity 0.8108 NPC326542
Intermediate Similarity 0.81 NPC99380
Intermediate Similarity 0.8095 NPC185530
Intermediate Similarity 0.8095 NPC136289
Intermediate Similarity 0.8095 NPC22388
Intermediate Similarity 0.8095 NPC195290
Intermediate Similarity 0.8095 NPC204450
Intermediate Similarity 0.8081 NPC119416
Intermediate Similarity 0.8077 NPC83709
Intermediate Similarity 0.8077 NPC476274
Intermediate Similarity 0.8073 NPC76084
Intermediate Similarity 0.8073 NPC197428
Intermediate Similarity 0.8061 NPC317590
Intermediate Similarity 0.8061 NPC472497
Intermediate Similarity 0.8061 NPC475740
Intermediate Similarity 0.8061 NPC472495
Intermediate Similarity 0.8061 NPC58063
Intermediate Similarity 0.8058 NPC474785
Intermediate Similarity 0.8058 NPC107243
Intermediate Similarity 0.8058 NPC474938
Intermediate Similarity 0.8058 NPC108078
Intermediate Similarity 0.8056 NPC295244
Intermediate Similarity 0.8041 NPC470574
Intermediate Similarity 0.8041 NPC36350
Intermediate Similarity 0.8041 NPC476426
Intermediate Similarity 0.8039 NPC476245
Intermediate Similarity 0.8039 NPC280725
Intermediate Similarity 0.8039 NPC474602
Intermediate Similarity 0.8039 NPC472485
Intermediate Similarity 0.8037 NPC166607
Intermediate Similarity 0.8036 NPC270958
Intermediate Similarity 0.8021 NPC64600
Intermediate Similarity 0.802 NPC470376
Intermediate Similarity 0.802 NPC474736
Intermediate Similarity 0.802 NPC12722
Intermediate Similarity 0.802 NPC109305
Intermediate Similarity 0.802 NPC125180
Intermediate Similarity 0.802 NPC472496
Intermediate Similarity 0.802 NPC470375
Intermediate Similarity 0.8019 NPC236390
Intermediate Similarity 0.8018 NPC194100
Intermediate Similarity 0.8018 NPC250109
Intermediate Similarity 0.8018 NPC962
Intermediate Similarity 0.8 NPC183283
Intermediate Similarity 0.8 NPC470184
Intermediate Similarity 0.8 NPC282524
Intermediate Similarity 0.8 NPC126993
Intermediate Similarity 0.8 NPC100313
Intermediate Similarity 0.8 NPC85173
Intermediate Similarity 0.8 NPC129913

Drug Structure

External Identifiers

TTD  
DrugBank   DB08970
ChEMBL   CHEMBL2106763
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   135989
CAS Number  2193-87-5

Drug Properties

Molecular Weight  390.18
ALogP  -0.3067
MLogP  3.22
XLogP  0.587
HDA  5
HBD  3
Rotatable Bonds  8
TPSA  94.83
RO5 Violation  0