Drug Information

Drug ID:  NPD4633
Drug Name:  Fluprednisolone
Molecular Formula:  C21H27FO5
Canonical SMILES:  OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F
Standard InCHI:  InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
Standard InCHIKey:  MYYIMZRZXIQBGI-HVIRSNARSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4633

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 0.9787 NPC144956
High Similarity 0.9574 NPC18509
High Similarity 0.94 NPC2766
High Similarity 0.9307 NPC235077
High Similarity 0.92 NPC44063
High Similarity 0.9043 NPC168027
High Similarity 0.9043 NPC185936
High Similarity 0.89 NPC311612
High Similarity 0.8835 NPC214644
High Similarity 0.883 NPC326627
High Similarity 0.883 NPC310010
High Similarity 0.8824 NPC185
High Similarity 0.88 NPC87351
High Similarity 0.8723 NPC328539
High Similarity 0.8673 NPC192428
High Similarity 0.8673 NPC49371
High Similarity 0.866 NPC111015
High Similarity 0.8627 NPC137657
High Similarity 0.86 NPC474720
High Similarity 0.86 NPC15390
High Similarity 0.8557 NPC233118
High Similarity 0.8544 NPC257353
High Similarity 0.8529 NPC111323
High Similarity 0.8529 NPC191892
High Similarity 0.8511 NPC327115
High Similarity 0.85 NPC114274
Intermediate Similarity 0.8485 NPC249954
Intermediate Similarity 0.8469 NPC196485
Intermediate Similarity 0.8469 NPC245972
Intermediate Similarity 0.8462 NPC83744
Intermediate Similarity 0.8454 NPC272746
Intermediate Similarity 0.8447 NPC235889
Intermediate Similarity 0.8438 NPC86319
Intermediate Similarity 0.8438 NPC474245
Intermediate Similarity 0.8438 NPC477943
Intermediate Similarity 0.8438 NPC76879
Intermediate Similarity 0.8438 NPC1015
Intermediate Similarity 0.8438 NPC31985
Intermediate Similarity 0.8438 NPC275740
Intermediate Similarity 0.8431 NPC477915
Intermediate Similarity 0.8431 NPC473424
Intermediate Similarity 0.8416 NPC154072
Intermediate Similarity 0.8411 NPC71348
Intermediate Similarity 0.84 NPC190554
Intermediate Similarity 0.8393 NPC313528
Intermediate Similarity 0.8384 NPC259286
Intermediate Similarity 0.8384 NPC472824
Intermediate Similarity 0.8384 NPC473170
Intermediate Similarity 0.8381 NPC329417
Intermediate Similarity 0.8367 NPC474807
Intermediate Similarity 0.8367 NPC475255
Intermediate Similarity 0.8365 NPC152695
Intermediate Similarity 0.8365 NPC476027
Intermediate Similarity 0.8365 NPC85829
Intermediate Similarity 0.8365 NPC48733
Intermediate Similarity 0.8365 NPC171137
Intermediate Similarity 0.8365 NPC202167
Intermediate Similarity 0.8365 NPC181265
Intermediate Similarity 0.8365 NPC97202
Intermediate Similarity 0.8365 NPC214264
Intermediate Similarity 0.8365 NPC302607
Intermediate Similarity 0.8365 NPC319077
Intermediate Similarity 0.8365 NPC150531
Intermediate Similarity 0.8365 NPC260268
Intermediate Similarity 0.8365 NPC296945
Intermediate Similarity 0.8365 NPC49958
Intermediate Similarity 0.8365 NPC50692
Intermediate Similarity 0.8351 NPC171441
Intermediate Similarity 0.835 NPC249187
Intermediate Similarity 0.835 NPC247957
Intermediate Similarity 0.835 NPC117185
Intermediate Similarity 0.8333 NPC73300
Intermediate Similarity 0.8333 NPC143767
Intermediate Similarity 0.8333 NPC108721
Intermediate Similarity 0.8333 NPC131470
Intermediate Similarity 0.8317 NPC147954
Intermediate Similarity 0.8316 NPC20688
Intermediate Similarity 0.83 NPC305483
Intermediate Similarity 0.83 NPC477853
Intermediate Similarity 0.83 NPC328162
Intermediate Similarity 0.83 NPC96859
Intermediate Similarity 0.8298 NPC237712
Intermediate Similarity 0.8298 NPC58841
Intermediate Similarity 0.8298 NPC321187
Intermediate Similarity 0.8298 NPC329043
Intermediate Similarity 0.8298 NPC161423
Intermediate Similarity 0.8298 NPC227064
Intermediate Similarity 0.8298 NPC144258
Intermediate Similarity 0.8286 NPC165873
Intermediate Similarity 0.8286 NPC58370
Intermediate Similarity 0.8286 NPC475060
Intermediate Similarity 0.8286 NPC220229
Intermediate Similarity 0.8286 NPC477916
Intermediate Similarity 0.8286 NPC43285
Intermediate Similarity 0.8283 NPC8993
Intermediate Similarity 0.8273 NPC471854
Intermediate Similarity 0.8269 NPC204833
Intermediate Similarity 0.8269 NPC209502
Intermediate Similarity 0.8265 NPC99380
Intermediate Similarity 0.8265 NPC472978
Intermediate Similarity 0.8265 NPC475806
Intermediate Similarity 0.8252 NPC22388
Intermediate Similarity 0.8247 NPC119416
Intermediate Similarity 0.8241 NPC100267
Intermediate Similarity 0.8241 NPC475524
Intermediate Similarity 0.8235 NPC83709
Intermediate Similarity 0.8229 NPC475740
Intermediate Similarity 0.8229 NPC58063
Intermediate Similarity 0.8224 NPC197428
Intermediate Similarity 0.8218 NPC108078
Intermediate Similarity 0.8211 NPC36350
Intermediate Similarity 0.8211 NPC470574
Intermediate Similarity 0.8208 NPC65941
Intermediate Similarity 0.8208 NPC217201
Intermediate Similarity 0.8208 NPC177064
Intermediate Similarity 0.82 NPC280725
Intermediate Similarity 0.82 NPC180950
Intermediate Similarity 0.82 NPC474602
Intermediate Similarity 0.82 NPC472932
Intermediate Similarity 0.82 NPC472485
Intermediate Similarity 0.8198 NPC257457
Intermediate Similarity 0.8198 NPC311554
Intermediate Similarity 0.8191 NPC64600
Intermediate Similarity 0.819 NPC60681
Intermediate Similarity 0.819 NPC149047
Intermediate Similarity 0.8182 NPC270958
Intermediate Similarity 0.8182 NPC69454
Intermediate Similarity 0.8182 NPC472930
Intermediate Similarity 0.8182 NPC470376
Intermediate Similarity 0.8182 NPC470375
Intermediate Similarity 0.8182 NPC12722
Intermediate Similarity 0.8165 NPC194100
Intermediate Similarity 0.8163 NPC85173
Intermediate Similarity 0.8163 NPC191684
Intermediate Similarity 0.8163 NPC129913
Intermediate Similarity 0.8163 NPC183283
Intermediate Similarity 0.8163 NPC320026
Intermediate Similarity 0.8163 NPC126993
Intermediate Similarity 0.8155 NPC302537
Intermediate Similarity 0.8155 NPC163372
Intermediate Similarity 0.8148 NPC43775
Intermediate Similarity 0.8148 NPC207689
Intermediate Similarity 0.8144 NPC471722
Intermediate Similarity 0.8144 NPC470417
Intermediate Similarity 0.8144 NPC471941
Intermediate Similarity 0.8144 NPC310752
Intermediate Similarity 0.8144 NPC292491
Intermediate Similarity 0.8144 NPC158778
Intermediate Similarity 0.8137 NPC191565
Intermediate Similarity 0.8137 NPC477854
Intermediate Similarity 0.8131 NPC470257
Intermediate Similarity 0.8131 NPC11710
Intermediate Similarity 0.8131 NPC241927
Intermediate Similarity 0.8131 NPC258543
Intermediate Similarity 0.8125 NPC94666
Intermediate Similarity 0.8125 NPC72133
Intermediate Similarity 0.8125 NPC31564
Intermediate Similarity 0.8125 NPC51014
Intermediate Similarity 0.8125 NPC474733
Intermediate Similarity 0.8125 NPC145879
Intermediate Similarity 0.8125 NPC474778
Intermediate Similarity 0.8125 NPC474732
Intermediate Similarity 0.8113 NPC475294
Intermediate Similarity 0.8105 NPC82902
Intermediate Similarity 0.8105 NPC214043
Intermediate Similarity 0.8105 NPC85774
Intermediate Similarity 0.81 NPC103527
Intermediate Similarity 0.81 NPC299100
Intermediate Similarity 0.81 NPC471207
Intermediate Similarity 0.81 NPC473172
Intermediate Similarity 0.81 NPC166906
Intermediate Similarity 0.8095 NPC75531
Intermediate Similarity 0.8095 NPC29705
Intermediate Similarity 0.8095 NPC72255
Intermediate Similarity 0.8095 NPC149124
Intermediate Similarity 0.8085 NPC193347
Intermediate Similarity 0.8081 NPC63748
Intermediate Similarity 0.8081 NPC155304
Intermediate Similarity 0.8081 NPC131872
Intermediate Similarity 0.8081 NPC473998
Intermediate Similarity 0.8077 NPC119601
Intermediate Similarity 0.8077 NPC185530
Intermediate Similarity 0.8077 NPC308726
Intermediate Similarity 0.8073 NPC207251
Intermediate Similarity 0.8061 NPC2983
Intermediate Similarity 0.8061 NPC473999
Intermediate Similarity 0.8061 NPC474704
Intermediate Similarity 0.8061 NPC472973
Intermediate Similarity 0.8061 NPC186688
Intermediate Similarity 0.8061 NPC309603
Intermediate Similarity 0.8061 NPC32830
Intermediate Similarity 0.8061 NPC475921
Intermediate Similarity 0.8058 NPC112167
Intermediate Similarity 0.8058 NPC110149
Intermediate Similarity 0.8041 NPC317590
Intermediate Similarity 0.8041 NPC174619
Intermediate Similarity 0.8041 NPC141292
Intermediate Similarity 0.8041 NPC90652
Intermediate Similarity 0.8041 NPC93778
Intermediate Similarity 0.8039 NPC43747

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  378.18
ALogP  -0.4908
MLogP  3.11
XLogP  0.739
HDA  5
HBD  3
Rotatable Bonds  8
TPSA  94.83
RO5 Violation  0